USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 749 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 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 51 THR OG1 : rot 130:sc= -1.61 USER MOD Set 2.2: A 97 MET CE :methyl 171:sc= -2.21! (180deg=-3.05!) USER MOD Set 3.1: A 59 MET CE :methyl -157:sc= -17.9! (180deg=-9.98!) USER MOD Set 3.2: A 88 MET CE :methyl -113:sc= -19.1! (180deg=-20.5!) USER MOD Set 4.1: A 36 LYS NZ :NH3+ -158:sc= 0.581 (180deg=-1.11) USER MOD Set 4.2: A 38 HIS : no HE2:sc= 0.802 K(o=1.4,f=-3.1) USER MOD Set 5.1: A 13 SER OG : rot 180:sc= 0.801 USER MOD Set 5.2: A 32 THR OG1 : rot -122:sc= 0.921 USER MOD Set 6.1: A 28 THR OG1 : rot -79:sc= -6.5! USER MOD Set 6.2: A 39 THR OG1 : rot -94:sc= 1.1 USER MOD Single : A 3 HIS : no HE2:sc= -3.05 X(o=-3,f=-3) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -98:sc= 0.341 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 34:sc= 0.756 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.9 K(o=-2.9,f=-14!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 60:sc= -1.8 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -159:sc= -1.29 (180deg=-1.89) USER MOD Single : A 87 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-2.9!) USER MOD Single : A 90 SER OG : rot 180:sc= -1.31 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0685 K(o=-0.069,f=-1) USER MOD Single : A 101 LYS NZ :NH3+ -157:sc= 0.353 (180deg=0.144) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 THR OG1 : rot -80:sc= 0.82 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 0.997 -13.421 3.299 1.00 0.00 N ATOM 29 CA HIS A 3 1.499 -12.784 2.083 1.00 0.00 C ATOM 30 C HIS A 3 0.444 -12.776 0.990 1.00 0.00 C ATOM 31 O HIS A 3 -0.045 -11.720 0.587 1.00 0.00 O ATOM 32 CB HIS A 3 2.767 -13.485 1.587 1.00 0.00 C ATOM 33 CG HIS A 3 3.917 -13.391 2.541 1.00 0.00 C ATOM 34 ND1 HIS A 3 3.817 -13.723 3.876 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.199 -13.001 2.347 1.00 0.00 C ATOM 36 CE1 HIS A 3 4.987 -13.540 4.462 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.842 -13.102 3.556 1.00 0.00 N ATOM 0 HA HIS A 3 1.743 -11.751 2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.543 -14.536 1.404 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.062 -13.051 0.632 1.00 0.00 H new ATOM 0 HD1 HIS A 3 2.972 -14.058 4.339 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.635 -12.672 1.415 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.207 -13.718 5.504 1.00 0.00 H new ATOM 46 N SER A 4 0.096 -13.955 0.514 1.00 0.00 N ATOM 47 CA SER A 4 -0.908 -14.080 -0.533 1.00 0.00 C ATOM 48 C SER A 4 -2.302 -13.871 0.035 1.00 0.00 C ATOM 49 O SER A 4 -2.668 -14.448 1.059 1.00 0.00 O ATOM 50 CB SER A 4 -0.829 -15.438 -1.227 1.00 0.00 C ATOM 51 OG SER A 4 0.512 -15.787 -1.523 1.00 0.00 O ATOM 0 H SER A 4 0.490 -14.840 0.832 1.00 0.00 H new ATOM 0 HA SER A 4 -0.704 -13.307 -1.274 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.273 -16.202 -0.589 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.412 -15.413 -2.147 1.00 0.00 H new ATOM 0 HG SER A 4 0.532 -16.661 -1.965 1.00 0.00 H new ATOM 57 N GLY A 5 -3.069 -13.038 -0.644 1.00 0.00 N ATOM 58 CA GLY A 5 -4.419 -12.739 -0.222 1.00 0.00 C ATOM 59 C GLY A 5 -5.194 -12.076 -1.332 1.00 0.00 C ATOM 60 O GLY A 5 -4.662 -11.876 -2.420 1.00 0.00 O ATOM 0 H GLY A 5 -2.775 -12.556 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.922 -13.658 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.396 -12.087 0.651 1.00 0.00 H new ATOM 64 N ALA A 6 -6.446 -11.734 -1.077 1.00 0.00 N ATOM 65 CA ALA A 6 -7.256 -11.089 -2.097 1.00 0.00 C ATOM 66 C ALA A 6 -7.406 -9.601 -1.821 1.00 0.00 C ATOM 67 O ALA A 6 -7.578 -9.180 -0.679 1.00 0.00 O ATOM 68 CB ALA A 6 -8.616 -11.755 -2.206 1.00 0.00 C ATOM 0 H ALA A 6 -6.918 -11.889 -0.186 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.742 -11.202 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.205 -11.256 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.487 -12.804 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.134 -11.684 -1.249 1.00 0.00 H new ATOM 74 N ALA A 7 -7.335 -8.815 -2.885 1.00 0.00 N ATOM 75 CA ALA A 7 -7.458 -7.368 -2.787 1.00 0.00 C ATOM 76 C ALA A 7 -8.103 -6.807 -4.042 1.00 0.00 C ATOM 77 O ALA A 7 -8.046 -7.427 -5.104 1.00 0.00 O ATOM 78 CB ALA A 7 -6.094 -6.734 -2.559 1.00 0.00 C ATOM 0 H ALA A 7 -7.192 -9.159 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.095 -7.130 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.203 -5.652 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.665 -7.117 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.435 -6.978 -3.392 1.00 0.00 H new ATOM 84 N ILE A 8 -8.723 -5.640 -3.927 1.00 0.00 N ATOM 85 CA ILE A 8 -9.373 -5.030 -5.074 1.00 0.00 C ATOM 86 C ILE A 8 -8.951 -3.580 -5.261 1.00 0.00 C ATOM 87 O ILE A 8 -8.724 -2.851 -4.295 1.00 0.00 O ATOM 88 CB ILE A 8 -10.904 -5.099 -4.958 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.358 -6.548 -4.809 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.547 -4.470 -6.181 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.543 -6.717 -3.885 1.00 0.00 C ATOM 0 H ILE A 8 -8.788 -5.104 -3.062 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.055 -5.603 -5.945 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.215 -4.545 -4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.615 -6.943 -5.792 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.526 -7.144 -4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.632 -4.524 -6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.240 -3.427 -6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.231 -5.007 -7.075 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.811 -7.772 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.284 -6.353 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.389 -6.148 -4.271 1.00 0.00 H new ATOM 103 N PHE A 9 -8.859 -3.174 -6.521 1.00 0.00 N ATOM 104 CA PHE A 9 -8.476 -1.814 -6.867 1.00 0.00 C ATOM 105 C PHE A 9 -9.196 -1.364 -8.137 1.00 0.00 C ATOM 106 O PHE A 9 -9.422 -2.162 -9.047 1.00 0.00 O ATOM 107 CB PHE A 9 -6.961 -1.723 -7.051 1.00 0.00 C ATOM 108 CG PHE A 9 -6.493 -0.366 -7.484 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.555 0.001 -8.816 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.996 0.540 -6.562 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.127 1.250 -9.224 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.567 1.791 -6.962 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.632 2.146 -8.296 1.00 0.00 C ATOM 0 H PHE A 9 -9.046 -3.773 -7.325 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.768 -1.151 -6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.472 -1.985 -6.113 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.648 -2.460 -7.790 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.942 -0.696 -9.545 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.943 0.266 -5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.179 1.525 -10.267 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.182 2.490 -6.234 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.296 3.122 -8.613 1.00 0.00 H new ATOM 123 N GLU A 10 -9.562 -0.086 -8.188 1.00 0.00 N ATOM 124 CA GLU A 10 -10.268 0.470 -9.340 1.00 0.00 C ATOM 125 C GLU A 10 -11.438 -0.416 -9.752 1.00 0.00 C ATOM 126 O GLU A 10 -11.758 -0.533 -10.935 1.00 0.00 O ATOM 127 CB GLU A 10 -9.316 0.668 -10.517 1.00 0.00 C ATOM 128 CG GLU A 10 -8.836 2.100 -10.654 1.00 0.00 C ATOM 129 CD GLU A 10 -7.926 2.301 -11.850 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.056 1.538 -12.830 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.084 3.223 -11.808 1.00 0.00 O ATOM 0 H GLU A 10 -9.381 0.586 -7.443 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.664 1.442 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.454 0.012 -10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.817 0.369 -11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.698 2.761 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.306 2.389 -9.747 1.00 0.00 H new ATOM 138 N LYS A 11 -12.081 -1.027 -8.765 1.00 0.00 N ATOM 139 CA LYS A 11 -13.228 -1.893 -9.014 1.00 0.00 C ATOM 140 C LYS A 11 -12.818 -3.184 -9.720 1.00 0.00 C ATOM 141 O LYS A 11 -13.656 -3.871 -10.302 1.00 0.00 O ATOM 142 CB LYS A 11 -14.284 -1.158 -9.850 1.00 0.00 C ATOM 143 CG LYS A 11 -14.305 0.349 -9.630 1.00 0.00 C ATOM 144 CD LYS A 11 -15.653 0.947 -9.999 1.00 0.00 C ATOM 145 CE LYS A 11 -15.885 0.913 -11.501 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.453 2.178 -12.158 1.00 0.00 N ATOM 0 H LYS A 11 -11.827 -0.939 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.653 -2.157 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.102 -1.359 -10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.268 -1.564 -9.613 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.082 0.568 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.523 0.816 -10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.447 0.396 -9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.705 1.977 -9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.340 0.074 -11.934 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.943 0.743 -11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.628 2.115 -13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.991 2.976 -11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.438 2.328 -11.989 1.00 0.00 H new ATOM 160 N VAL A 12 -11.532 -3.523 -9.655 1.00 0.00 N ATOM 161 CA VAL A 12 -11.040 -4.744 -10.279 1.00 0.00 C ATOM 162 C VAL A 12 -10.437 -5.660 -9.226 1.00 0.00 C ATOM 163 O VAL A 12 -9.488 -5.285 -8.541 1.00 0.00 O ATOM 164 CB VAL A 12 -9.983 -4.452 -11.361 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.729 -5.693 -12.204 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.418 -3.285 -12.235 1.00 0.00 C ATOM 0 H VAL A 12 -10.818 -2.972 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.891 -5.230 -10.757 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.051 -4.176 -10.868 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.980 -5.470 -12.964 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.369 -6.499 -11.565 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.656 -6.000 -12.688 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.658 -3.095 -12.993 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.363 -3.527 -12.722 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.545 -2.396 -11.618 1.00 0.00 H new ATOM 176 N SER A 13 -11.004 -6.853 -9.082 1.00 0.00 N ATOM 177 CA SER A 13 -10.519 -7.799 -8.086 1.00 0.00 C ATOM 178 C SER A 13 -9.366 -8.639 -8.613 1.00 0.00 C ATOM 179 O SER A 13 -9.250 -8.891 -9.811 1.00 0.00 O ATOM 180 CB SER A 13 -11.648 -8.708 -7.606 1.00 0.00 C ATOM 181 OG SER A 13 -12.184 -9.469 -8.675 1.00 0.00 O ATOM 0 H SER A 13 -11.793 -7.185 -9.637 1.00 0.00 H new ATOM 0 HA SER A 13 -10.150 -7.213 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.275 -9.378 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.436 -8.106 -7.154 1.00 0.00 H new ATOM 0 HG SER A 13 -12.904 -10.043 -8.339 1.00 0.00 H new ATOM 187 N GLY A 14 -8.512 -9.053 -7.686 1.00 0.00 N ATOM 188 CA GLY A 14 -7.348 -9.850 -8.015 1.00 0.00 C ATOM 189 C GLY A 14 -6.716 -10.435 -6.769 1.00 0.00 C ATOM 190 O GLY A 14 -7.222 -10.234 -5.665 1.00 0.00 O ATOM 0 H GLY A 14 -8.610 -8.845 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.634 -10.654 -8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.619 -9.234 -8.541 1.00 0.00 H new ATOM 194 N ILE A 15 -5.612 -11.153 -6.929 1.00 0.00 N ATOM 195 CA ILE A 15 -4.936 -11.746 -5.783 1.00 0.00 C ATOM 196 C ILE A 15 -3.647 -10.993 -5.499 1.00 0.00 C ATOM 197 O ILE A 15 -2.875 -10.687 -6.407 1.00 0.00 O ATOM 198 CB ILE A 15 -4.609 -13.240 -5.996 1.00 0.00 C ATOM 199 CG1 ILE A 15 -5.734 -13.932 -6.769 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.383 -13.929 -4.653 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.504 -13.971 -8.264 1.00 0.00 C ATOM 0 H ILE A 15 -5.170 -11.337 -7.830 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.619 -11.672 -4.937 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.694 -13.313 -6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.844 -14.952 -6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.673 -13.417 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.153 -14.982 -4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.550 -13.453 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.284 -13.845 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.340 -14.476 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.424 -12.953 -8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.582 -14.512 -8.476 1.00 0.00 H new ATOM 213 N ILE A 16 -3.447 -10.672 -4.231 1.00 0.00 N ATOM 214 CA ILE A 16 -2.283 -9.920 -3.798 1.00 0.00 C ATOM 215 C ILE A 16 -1.278 -10.830 -3.089 1.00 0.00 C ATOM 216 O ILE A 16 -1.613 -11.485 -2.104 1.00 0.00 O ATOM 217 CB ILE A 16 -2.719 -8.782 -2.851 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.516 -7.989 -2.346 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.529 -9.331 -1.685 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.866 -6.564 -1.979 1.00 0.00 C ATOM 0 H ILE A 16 -4.085 -10.925 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.800 -9.496 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.352 -8.101 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.095 -8.491 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.743 -7.982 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.826 -8.512 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.419 -9.833 -2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.923 -10.042 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.972 -6.049 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.260 -6.049 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.618 -6.566 -1.190 1.00 0.00 H new ATOM 232 N ALA A 17 -0.050 -10.887 -3.607 1.00 0.00 N ATOM 233 CA ALA A 17 0.981 -11.741 -3.021 1.00 0.00 C ATOM 234 C ALA A 17 2.288 -10.987 -2.796 1.00 0.00 C ATOM 235 O ALA A 17 2.729 -10.224 -3.653 1.00 0.00 O ATOM 236 CB ALA A 17 1.225 -12.945 -3.916 1.00 0.00 C ATOM 0 H ALA A 17 0.252 -10.356 -4.424 1.00 0.00 H new ATOM 0 HA ALA A 17 0.621 -12.072 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.995 -13.577 -3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.302 -13.515 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.554 -12.607 -4.899 1.00 0.00 H new ATOM 242 N ILE A 18 2.909 -11.219 -1.640 1.00 0.00 N ATOM 243 CA ILE A 18 4.175 -10.572 -1.301 1.00 0.00 C ATOM 244 C ILE A 18 5.361 -11.464 -1.661 1.00 0.00 C ATOM 245 O ILE A 18 5.660 -12.430 -0.958 1.00 0.00 O ATOM 246 CB ILE A 18 4.255 -10.228 0.201 1.00 0.00 C ATOM 247 CG1 ILE A 18 2.881 -9.830 0.749 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.264 -9.114 0.435 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.175 -8.776 -0.077 1.00 0.00 C ATOM 0 H ILE A 18 2.555 -11.851 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 18 4.218 -9.650 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 18 4.585 -11.118 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.251 -10.718 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.000 -9.461 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.310 -8.882 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.247 -9.435 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.959 -8.225 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.209 -8.547 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.783 -7.872 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.023 -9.149 -1.090 1.00 0.00 H new ATOM 261 N ASN A 19 6.035 -11.130 -2.755 1.00 0.00 N ATOM 262 CA ASN A 19 7.194 -11.892 -3.211 1.00 0.00 C ATOM 263 C ASN A 19 8.430 -11.548 -2.395 1.00 0.00 C ATOM 264 O ASN A 19 8.969 -10.445 -2.493 1.00 0.00 O ATOM 265 CB ASN A 19 7.457 -11.616 -4.693 1.00 0.00 C ATOM 266 CG ASN A 19 6.718 -12.580 -5.601 1.00 0.00 C ATOM 267 OD1 ASN A 19 5.541 -12.872 -5.388 1.00 0.00 O ATOM 268 ND2 ASN A 19 7.407 -13.079 -6.620 1.00 0.00 N ATOM 0 H ASN A 19 5.798 -10.333 -3.346 1.00 0.00 H new ATOM 0 HA ASN A 19 6.976 -12.951 -3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.155 -10.595 -4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.527 -11.685 -4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.963 -13.733 -7.265 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.381 -12.809 -6.758 1.00 0.00 H new ATOM 275 N GLU A 20 8.883 -12.512 -1.604 1.00 0.00 N ATOM 276 CA GLU A 20 10.070 -12.332 -0.782 1.00 0.00 C ATOM 277 C GLU A 20 11.188 -13.231 -1.283 1.00 0.00 C ATOM 278 O GLU A 20 12.049 -13.667 -0.520 1.00 0.00 O ATOM 279 CB GLU A 20 9.763 -12.633 0.686 1.00 0.00 C ATOM 280 CG GLU A 20 10.662 -11.889 1.660 1.00 0.00 C ATOM 281 CD GLU A 20 10.716 -12.549 3.024 1.00 0.00 C ATOM 282 OE1 GLU A 20 10.501 -13.777 3.098 1.00 0.00 O ATOM 283 OE2 GLU A 20 10.973 -11.838 4.018 1.00 0.00 O ATOM 0 H GLU A 20 8.444 -13.428 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 20 10.390 -11.293 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.725 -12.374 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.864 -13.705 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.669 -11.832 1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.304 -10.865 1.770 1.00 0.00 H new ATOM 290 N ASP A 21 11.157 -13.499 -2.581 1.00 0.00 N ATOM 291 CA ASP A 21 12.157 -14.344 -3.219 1.00 0.00 C ATOM 292 C ASP A 21 13.142 -13.508 -4.031 1.00 0.00 C ATOM 293 O ASP A 21 14.252 -13.952 -4.324 1.00 0.00 O ATOM 294 CB ASP A 21 11.481 -15.376 -4.123 1.00 0.00 C ATOM 295 CG ASP A 21 12.188 -16.717 -4.100 1.00 0.00 C ATOM 296 OD1 ASP A 21 12.339 -17.290 -3.000 1.00 0.00 O ATOM 297 OD2 ASP A 21 12.592 -17.194 -5.181 1.00 0.00 O ATOM 0 H ASP A 21 10.445 -13.140 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 21 12.710 -14.862 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.446 -15.509 -3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.457 -14.999 -5.145 1.00 0.00 H new ATOM 302 N VAL A 22 12.733 -12.293 -4.389 1.00 0.00 N ATOM 303 CA VAL A 22 13.590 -11.399 -5.163 1.00 0.00 C ATOM 304 C VAL A 22 14.257 -10.371 -4.255 1.00 0.00 C ATOM 305 O VAL A 22 13.877 -10.220 -3.094 1.00 0.00 O ATOM 306 CB VAL A 22 12.812 -10.660 -6.280 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.181 -11.218 -7.646 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.307 -10.740 -6.059 1.00 0.00 C ATOM 0 H VAL A 22 11.818 -11.907 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 22 14.348 -12.026 -5.633 1.00 0.00 H new ATOM 0 HB VAL A 22 13.097 -9.609 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.625 -10.687 -8.418 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.250 -11.089 -7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.933 -12.279 -7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.793 -10.211 -6.861 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.995 -11.784 -6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.055 -10.282 -5.103 1.00 0.00 H new ATOM 318 N SER A 23 15.254 -9.661 -4.786 1.00 0.00 N ATOM 319 CA SER A 23 15.963 -8.649 -4.008 1.00 0.00 C ATOM 320 C SER A 23 14.974 -7.712 -3.317 1.00 0.00 C ATOM 321 O SER A 23 14.836 -7.746 -2.094 1.00 0.00 O ATOM 322 CB SER A 23 16.920 -7.854 -4.894 1.00 0.00 C ATOM 323 OG SER A 23 18.241 -8.359 -4.803 1.00 0.00 O ATOM 0 H SER A 23 15.585 -9.768 -5.745 1.00 0.00 H new ATOM 0 HA SER A 23 16.549 -9.159 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.582 -7.897 -5.929 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.908 -6.805 -4.598 1.00 0.00 H new ATOM 0 HG SER A 23 18.833 -7.833 -5.381 1.00 0.00 H new ATOM 329 N PRO A 24 14.246 -6.878 -4.085 1.00 0.00 N ATOM 330 CA PRO A 24 13.259 -5.971 -3.517 1.00 0.00 C ATOM 331 C PRO A 24 11.960 -6.693 -3.227 1.00 0.00 C ATOM 332 O PRO A 24 11.064 -6.730 -4.069 1.00 0.00 O ATOM 333 CB PRO A 24 13.040 -4.948 -4.621 1.00 0.00 C ATOM 334 CG PRO A 24 13.266 -5.715 -5.879 1.00 0.00 C ATOM 335 CD PRO A 24 14.301 -6.768 -5.557 1.00 0.00 C ATOM 0 HA PRO A 24 13.589 -5.535 -2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.034 -4.531 -4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.735 -4.113 -4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.340 -6.174 -6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.615 -5.059 -6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.068 -7.718 -6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.293 -6.472 -5.899 1.00 0.00 H new ATOM 343 N ALA A 25 11.863 -7.268 -2.036 1.00 0.00 N ATOM 344 CA ALA A 25 10.660 -7.993 -1.638 1.00 0.00 C ATOM 345 C ALA A 25 9.438 -7.193 -2.029 1.00 0.00 C ATOM 346 O ALA A 25 9.036 -6.270 -1.332 1.00 0.00 O ATOM 347 CB ALA A 25 10.657 -8.275 -0.151 1.00 0.00 C ATOM 0 H ALA A 25 12.599 -7.248 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 25 10.644 -8.953 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.749 -8.816 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.527 -8.879 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.693 -7.334 0.398 1.00 0.00 H new ATOM 353 N GLU A 26 8.890 -7.533 -3.177 1.00 0.00 N ATOM 354 CA GLU A 26 7.745 -6.829 -3.726 1.00 0.00 C ATOM 355 C GLU A 26 6.516 -7.721 -3.788 1.00 0.00 C ATOM 356 O GLU A 26 6.604 -8.922 -3.557 1.00 0.00 O ATOM 357 CB GLU A 26 8.097 -6.292 -5.109 1.00 0.00 C ATOM 358 CG GLU A 26 8.811 -7.301 -5.994 1.00 0.00 C ATOM 359 CD GLU A 26 8.326 -7.264 -7.430 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.101 -7.381 -7.646 1.00 0.00 O ATOM 361 OE2 GLU A 26 9.170 -7.116 -8.338 1.00 0.00 O ATOM 0 H GLU A 26 9.223 -8.303 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 26 7.501 -5.996 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.183 -5.969 -5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.728 -5.410 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.883 -7.104 -5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.662 -8.302 -5.590 1.00 0.00 H new ATOM 368 N LEU A 27 5.367 -7.123 -4.088 1.00 0.00 N ATOM 369 CA LEU A 27 4.126 -7.860 -4.160 1.00 0.00 C ATOM 370 C LEU A 27 3.378 -7.514 -5.431 1.00 0.00 C ATOM 371 O LEU A 27 3.262 -6.343 -5.793 1.00 0.00 O ATOM 372 CB LEU A 27 3.259 -7.550 -2.940 1.00 0.00 C ATOM 373 CG LEU A 27 2.761 -6.105 -2.851 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.378 -5.978 -3.469 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.746 -5.635 -1.405 1.00 0.00 C ATOM 0 H LEU A 27 5.278 -6.126 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 27 4.355 -8.926 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.396 -8.216 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.830 -7.778 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 27 3.446 -5.469 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.041 -4.944 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.419 -6.273 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.681 -6.625 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.389 -4.606 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.083 -6.274 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.755 -5.688 -0.995 1.00 0.00 H new ATOM 387 N THR A 28 2.869 -8.530 -6.110 1.00 0.00 N ATOM 388 CA THR A 28 2.136 -8.306 -7.341 1.00 0.00 C ATOM 389 C THR A 28 0.672 -8.658 -7.169 1.00 0.00 C ATOM 390 O THR A 28 0.310 -9.537 -6.387 1.00 0.00 O ATOM 391 CB THR A 28 2.775 -9.084 -8.494 1.00 0.00 C ATOM 392 OG1 THR A 28 3.383 -8.206 -9.414 1.00 0.00 O ATOM 393 CG2 THR A 28 1.815 -9.956 -9.276 1.00 0.00 C ATOM 0 H THR A 28 2.950 -9.508 -5.831 1.00 0.00 H new ATOM 0 HA THR A 28 2.187 -7.246 -7.589 1.00 0.00 H new ATOM 0 HB THR A 28 3.501 -9.735 -8.007 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.697 -7.809 -9.990 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.355 -10.469 -10.072 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.367 -10.692 -8.609 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.031 -9.335 -9.711 1.00 0.00 H new ATOM 401 N TRP A 29 -0.163 -7.938 -7.894 1.00 0.00 N ATOM 402 CA TRP A 29 -1.599 -8.133 -7.823 1.00 0.00 C ATOM 403 C TRP A 29 -2.181 -8.486 -9.187 1.00 0.00 C ATOM 404 O TRP A 29 -2.254 -7.643 -10.074 1.00 0.00 O ATOM 405 CB TRP A 29 -2.239 -6.856 -7.292 1.00 0.00 C ATOM 406 CG TRP A 29 -3.717 -6.946 -7.135 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.396 -7.362 -6.029 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.702 -6.603 -8.111 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.745 -7.296 -6.254 1.00 0.00 N ATOM 410 CE2 TRP A 29 -5.961 -6.834 -7.526 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.644 -6.121 -9.423 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.150 -6.601 -8.203 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.832 -5.890 -10.095 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.068 -6.130 -9.484 1.00 0.00 C ATOM 0 H TRP A 29 0.131 -7.208 -8.543 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.810 -8.967 -7.153 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.795 -6.612 -6.327 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.004 -6.034 -7.968 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.937 -7.695 -5.110 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.471 -7.549 -5.584 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.694 -5.933 -9.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.106 -6.785 -7.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.805 -5.518 -11.109 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.976 -5.939 -10.036 1.00 0.00 H new ATOM 425 N ARG A 30 -2.604 -9.734 -9.345 1.00 0.00 N ATOM 426 CA ARG A 30 -3.185 -10.187 -10.604 1.00 0.00 C ATOM 427 C ARG A 30 -4.701 -10.294 -10.492 1.00 0.00 C ATOM 428 O ARG A 30 -5.218 -11.030 -9.651 1.00 0.00 O ATOM 429 CB ARG A 30 -2.594 -11.540 -11.005 1.00 0.00 C ATOM 430 CG ARG A 30 -3.044 -12.018 -12.377 1.00 0.00 C ATOM 431 CD ARG A 30 -3.278 -13.520 -12.395 1.00 0.00 C ATOM 432 NE ARG A 30 -2.827 -14.129 -13.645 1.00 0.00 N ATOM 433 CZ ARG A 30 -1.549 -14.234 -13.999 1.00 0.00 C ATOM 434 NH1 ARG A 30 -0.592 -13.772 -13.204 1.00 0.00 N ATOM 435 NH2 ARG A 30 -1.226 -14.803 -15.153 1.00 0.00 N ATOM 0 H ARG A 30 -2.556 -10.449 -8.620 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.945 -9.453 -11.373 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.506 -11.470 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.874 -12.285 -10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.962 -11.502 -12.660 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.290 -11.757 -13.120 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.752 -13.979 -11.558 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.340 -13.723 -12.255 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.534 -14.495 -14.283 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.834 -13.333 -12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.386 -13.856 -13.481 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.957 -15.160 -15.768 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.246 -14.884 -15.425 1.00 0.00 H new ATOM 449 N SER A 31 -5.414 -9.556 -11.341 1.00 0.00 N ATOM 450 CA SER A 31 -6.874 -9.575 -11.324 1.00 0.00 C ATOM 451 C SER A 31 -7.405 -11.007 -11.348 1.00 0.00 C ATOM 452 O SER A 31 -6.767 -11.907 -11.893 1.00 0.00 O ATOM 453 CB SER A 31 -7.431 -8.794 -12.514 1.00 0.00 C ATOM 454 OG SER A 31 -6.743 -9.125 -13.707 1.00 0.00 O ATOM 0 H SER A 31 -5.007 -8.941 -12.045 1.00 0.00 H new ATOM 0 HA SER A 31 -7.204 -9.101 -10.400 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.493 -9.011 -12.631 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.343 -7.724 -12.324 1.00 0.00 H new ATOM 0 HG SER A 31 -6.055 -8.450 -13.886 1.00 0.00 H new ATOM 460 N THR A 32 -8.576 -11.209 -10.751 1.00 0.00 N ATOM 461 CA THR A 32 -9.193 -12.530 -10.701 1.00 0.00 C ATOM 462 C THR A 32 -9.363 -13.105 -12.098 1.00 0.00 C ATOM 463 O THR A 32 -9.029 -14.262 -12.356 1.00 0.00 O ATOM 464 CB THR A 32 -10.550 -12.459 -9.998 1.00 0.00 C ATOM 465 OG1 THR A 32 -11.352 -11.433 -10.556 1.00 0.00 O ATOM 466 CG2 THR A 32 -10.440 -12.202 -8.510 1.00 0.00 C ATOM 0 H THR A 32 -9.117 -10.474 -10.295 1.00 0.00 H new ATOM 0 HA THR A 32 -8.533 -13.188 -10.135 1.00 0.00 H new ATOM 0 HB THR A 32 -11.005 -13.438 -10.148 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.602 -10.795 -9.855 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.438 -12.163 -8.073 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.870 -13.005 -8.043 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.933 -11.252 -8.341 1.00 0.00 H new ATOM 505 N LYS A 36 -5.752 -8.024 -15.820 1.00 0.00 N ATOM 506 CA LYS A 36 -4.789 -7.027 -15.372 1.00 0.00 C ATOM 507 C LYS A 36 -3.934 -7.550 -14.224 1.00 0.00 C ATOM 508 O LYS A 36 -4.360 -8.415 -13.458 1.00 0.00 O ATOM 509 CB LYS A 36 -5.507 -5.751 -14.942 1.00 0.00 C ATOM 510 CG LYS A 36 -6.330 -5.903 -13.677 1.00 0.00 C ATOM 511 CD LYS A 36 -6.814 -4.553 -13.179 1.00 0.00 C ATOM 512 CE LYS A 36 -5.655 -3.668 -12.749 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.284 -2.687 -13.806 1.00 0.00 N ATOM 0 HA LYS A 36 -4.130 -6.806 -16.212 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.768 -4.964 -14.790 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.160 -5.423 -15.751 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.185 -6.551 -13.870 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.731 -6.386 -12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.380 -4.055 -13.966 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.494 -4.697 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.924 -3.135 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.792 -4.290 -12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.304 -2.371 -13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.365 -3.136 -14.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.923 -1.868 -13.759 1.00 0.00 H new ATOM 527 N VAL A 37 -2.726 -7.010 -14.110 1.00 0.00 N ATOM 528 CA VAL A 37 -1.802 -7.404 -13.057 1.00 0.00 C ATOM 529 C VAL A 37 -0.967 -6.214 -12.596 1.00 0.00 C ATOM 530 O VAL A 37 -0.223 -5.628 -13.383 1.00 0.00 O ATOM 531 CB VAL A 37 -0.859 -8.529 -13.525 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.088 -9.105 -12.347 1.00 0.00 C ATOM 533 CG2 VAL A 37 -1.641 -9.618 -14.243 1.00 0.00 C ATOM 0 H VAL A 37 -2.363 -6.294 -14.739 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.403 -7.772 -12.226 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.141 -8.106 -14.228 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.573 -9.898 -12.697 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.505 -8.318 -11.881 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.788 -9.512 -11.618 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.958 -10.404 -14.566 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.384 -10.039 -13.566 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.142 -9.193 -15.113 1.00 0.00 H new ATOM 543 N HIS A 38 -1.091 -5.857 -11.322 1.00 0.00 N ATOM 544 CA HIS A 38 -0.342 -4.734 -10.775 1.00 0.00 C ATOM 545 C HIS A 38 0.754 -5.209 -9.826 1.00 0.00 C ATOM 546 O HIS A 38 0.482 -5.674 -8.721 1.00 0.00 O ATOM 547 CB HIS A 38 -1.284 -3.777 -10.043 1.00 0.00 C ATOM 548 CG HIS A 38 -2.001 -2.830 -10.954 1.00 0.00 C ATOM 549 ND1 HIS A 38 -2.957 -1.939 -10.513 1.00 0.00 N ATOM 550 CD2 HIS A 38 -1.897 -2.636 -12.291 1.00 0.00 C ATOM 551 CE1 HIS A 38 -3.411 -1.240 -11.538 1.00 0.00 C ATOM 552 NE2 HIS A 38 -2.784 -1.643 -12.628 1.00 0.00 N ATOM 0 H HIS A 38 -1.700 -6.327 -10.653 1.00 0.00 H new ATOM 0 HA HIS A 38 0.130 -4.210 -11.606 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.018 -4.359 -9.486 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.712 -3.204 -9.314 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -3.265 -1.836 -9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.239 -3.164 -12.966 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.167 -0.470 -11.492 1.00 0.00 H new ATOM 561 N THR A 39 1.993 -5.061 -10.268 1.00 0.00 N ATOM 562 CA THR A 39 3.162 -5.446 -9.477 1.00 0.00 C ATOM 563 C THR A 39 3.654 -4.255 -8.663 1.00 0.00 C ATOM 564 O THR A 39 4.236 -3.318 -9.208 1.00 0.00 O ATOM 565 CB THR A 39 4.281 -5.920 -10.408 1.00 0.00 C ATOM 566 OG1 THR A 39 3.801 -6.885 -11.327 1.00 0.00 O ATOM 567 CG2 THR A 39 5.459 -6.524 -9.674 1.00 0.00 C ATOM 0 H THR A 39 2.221 -4.672 -11.183 1.00 0.00 H new ATOM 0 HA THR A 39 2.882 -6.254 -8.801 1.00 0.00 H new ATOM 0 HB THR A 39 4.621 -5.023 -10.925 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.964 -7.784 -10.973 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.214 -6.838 -10.394 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.887 -5.782 -9.000 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.125 -7.387 -9.098 1.00 0.00 H new ATOM 575 N VAL A 40 3.425 -4.297 -7.358 1.00 0.00 N ATOM 576 CA VAL A 40 3.856 -3.221 -6.478 1.00 0.00 C ATOM 577 C VAL A 40 5.187 -3.571 -5.830 1.00 0.00 C ATOM 578 O VAL A 40 5.261 -4.487 -5.011 1.00 0.00 O ATOM 579 CB VAL A 40 2.818 -2.940 -5.375 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.202 -1.695 -4.591 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.423 -2.801 -5.972 1.00 0.00 C ATOM 0 H VAL A 40 2.944 -5.063 -6.886 1.00 0.00 H new ATOM 0 HA VAL A 40 3.964 -2.325 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 40 2.805 -3.785 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.459 -1.510 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.179 -1.842 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.244 -0.839 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.705 -2.603 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.413 -1.976 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.152 -3.725 -6.483 1.00 0.00 H new ATOM 591 N VAL A 41 6.244 -2.855 -6.204 1.00 0.00 N ATOM 592 CA VAL A 41 7.558 -3.135 -5.646 1.00 0.00 C ATOM 593 C VAL A 41 7.769 -2.441 -4.314 1.00 0.00 C ATOM 594 O VAL A 41 8.146 -1.270 -4.258 1.00 0.00 O ATOM 595 CB VAL A 41 8.712 -2.762 -6.593 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.003 -3.439 -6.136 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.377 -3.149 -8.026 1.00 0.00 C ATOM 0 H VAL A 41 6.216 -2.091 -6.879 1.00 0.00 H new ATOM 0 HA VAL A 41 7.575 -4.215 -5.500 1.00 0.00 H new ATOM 0 HB VAL A 41 8.856 -1.682 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.814 -3.169 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.248 -3.111 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.869 -4.521 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.206 -2.877 -8.680 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.208 -4.224 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.477 -2.623 -8.344 1.00 0.00 H new ATOM 607 N LEU A 42 7.548 -3.193 -3.243 1.00 0.00 N ATOM 608 CA LEU A 42 7.728 -2.694 -1.886 1.00 0.00 C ATOM 609 C LEU A 42 9.045 -1.938 -1.748 1.00 0.00 C ATOM 610 O LEU A 42 9.192 -1.080 -0.877 1.00 0.00 O ATOM 611 CB LEU A 42 7.712 -3.864 -0.911 1.00 0.00 C ATOM 612 CG LEU A 42 6.336 -4.499 -0.680 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.456 -6.007 -0.500 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.657 -3.867 0.527 1.00 0.00 C ATOM 0 H LEU A 42 7.240 -4.164 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 42 6.912 -2.007 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.392 -4.632 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.103 -3.523 0.048 1.00 0.00 H new ATOM 0 HG LEU A 42 5.722 -4.313 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.466 -6.434 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.898 -6.446 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.089 -6.221 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.681 -4.328 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.273 -4.021 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.530 -2.798 0.355 1.00 0.00 H new ATOM 626 N SER A 43 9.999 -2.259 -2.618 1.00 0.00 N ATOM 627 CA SER A 43 11.300 -1.601 -2.592 1.00 0.00 C ATOM 628 C SER A 43 11.117 -0.115 -2.817 1.00 0.00 C ATOM 629 O SER A 43 11.677 0.716 -2.100 1.00 0.00 O ATOM 630 CB SER A 43 12.231 -2.197 -3.651 1.00 0.00 C ATOM 631 OG SER A 43 13.087 -1.210 -4.204 1.00 0.00 O ATOM 0 H SER A 43 9.896 -2.967 -3.345 1.00 0.00 H new ATOM 0 HA SER A 43 11.760 -1.761 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.830 -2.991 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.638 -2.652 -4.444 1.00 0.00 H new ATOM 0 HG SER A 43 13.670 -1.622 -4.875 1.00 0.00 H new ATOM 637 N THR A 44 10.299 0.204 -3.801 1.00 0.00 N ATOM 638 CA THR A 44 9.990 1.578 -4.119 1.00 0.00 C ATOM 639 C THR A 44 8.964 2.112 -3.130 1.00 0.00 C ATOM 640 O THR A 44 8.863 3.320 -2.917 1.00 0.00 O ATOM 641 CB THR A 44 9.453 1.678 -5.543 1.00 0.00 C ATOM 642 OG1 THR A 44 8.654 0.551 -5.858 1.00 0.00 O ATOM 643 CG2 THR A 44 10.542 1.775 -6.588 1.00 0.00 C ATOM 0 H THR A 44 9.834 -0.480 -4.398 1.00 0.00 H new ATOM 0 HA THR A 44 10.898 2.176 -4.048 1.00 0.00 H new ATOM 0 HB THR A 44 8.867 2.597 -5.567 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.174 0.256 -5.056 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.091 1.843 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.146 2.663 -6.402 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.175 0.889 -6.538 1.00 0.00 H new ATOM 651 N ILE A 45 8.204 1.200 -2.516 1.00 0.00 N ATOM 652 CA ILE A 45 7.195 1.598 -1.540 1.00 0.00 C ATOM 653 C ILE A 45 7.844 1.948 -0.205 1.00 0.00 C ATOM 654 O ILE A 45 8.667 1.192 0.312 1.00 0.00 O ATOM 655 CB ILE A 45 6.134 0.501 -1.311 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.707 -0.128 -2.638 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.926 1.081 -0.589 1.00 0.00 C ATOM 658 CD1 ILE A 45 5.229 0.877 -3.661 1.00 0.00 C ATOM 0 H ILE A 45 8.269 0.195 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 45 6.696 2.475 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 45 6.575 -0.279 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.547 -0.684 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.911 -0.848 -2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.184 0.297 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.237 1.483 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.490 1.878 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.943 0.357 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.368 1.417 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.030 1.583 -3.880 1.00 0.00 H new ATOM 670 N ASP A 46 7.479 3.103 0.344 1.00 0.00 N ATOM 671 CA ASP A 46 8.039 3.555 1.613 1.00 0.00 C ATOM 672 C ASP A 46 6.964 3.694 2.690 1.00 0.00 C ATOM 673 O ASP A 46 7.264 3.646 3.883 1.00 0.00 O ATOM 674 CB ASP A 46 8.756 4.893 1.423 1.00 0.00 C ATOM 675 CG ASP A 46 9.455 5.361 2.684 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.597 4.917 2.929 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.861 6.170 3.428 1.00 0.00 O ATOM 0 H ASP A 46 6.799 3.742 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 46 8.751 2.800 1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.487 4.799 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.034 5.647 1.110 1.00 0.00 H new ATOM 682 N LYS A 47 5.715 3.874 2.271 1.00 0.00 N ATOM 683 CA LYS A 47 4.612 4.025 3.214 1.00 0.00 C ATOM 684 C LYS A 47 3.604 2.889 3.072 1.00 0.00 C ATOM 685 O LYS A 47 3.419 2.339 1.986 1.00 0.00 O ATOM 686 CB LYS A 47 3.916 5.373 3.004 1.00 0.00 C ATOM 687 CG LYS A 47 4.228 6.392 4.088 1.00 0.00 C ATOM 688 CD LYS A 47 5.483 7.185 3.762 1.00 0.00 C ATOM 689 CE LYS A 47 5.245 8.160 2.621 1.00 0.00 C ATOM 690 NZ LYS A 47 4.949 9.533 3.116 1.00 0.00 N ATOM 0 H LYS A 47 5.442 3.919 1.289 1.00 0.00 H new ATOM 0 HA LYS A 47 5.025 3.988 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.214 5.780 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.838 5.214 2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.385 7.074 4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.356 5.882 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.809 7.731 4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.288 6.500 3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.125 8.188 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.414 7.808 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.793 10.168 2.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.095 9.512 3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.752 9.880 3.678 1.00 0.00 H new ATOM 704 N LEU A 48 2.956 2.544 4.180 1.00 0.00 N ATOM 705 CA LEU A 48 1.964 1.475 4.189 1.00 0.00 C ATOM 706 C LEU A 48 0.963 1.679 5.321 1.00 0.00 C ATOM 707 O LEU A 48 1.332 2.091 6.420 1.00 0.00 O ATOM 708 CB LEU A 48 2.656 0.115 4.338 1.00 0.00 C ATOM 709 CG LEU A 48 1.728 -1.067 4.645 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.342 -1.789 3.365 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.394 -2.025 5.620 1.00 0.00 C ATOM 0 H LEU A 48 3.101 2.991 5.086 1.00 0.00 H new ATOM 0 HA LEU A 48 1.424 1.498 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.198 -0.100 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.397 0.189 5.134 1.00 0.00 H new ATOM 0 HG LEU A 48 0.819 -0.682 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.684 -2.624 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.825 -1.098 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.240 -2.163 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.722 -2.858 5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.318 -2.404 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.619 -1.501 6.549 1.00 0.00 H new ATOM 723 N GLN A 49 -0.305 1.380 5.050 1.00 0.00 N ATOM 724 CA GLN A 49 -1.352 1.523 6.058 1.00 0.00 C ATOM 725 C GLN A 49 -2.401 0.424 5.915 1.00 0.00 C ATOM 726 O GLN A 49 -2.546 -0.180 4.852 1.00 0.00 O ATOM 727 CB GLN A 49 -2.019 2.900 5.970 1.00 0.00 C ATOM 728 CG GLN A 49 -1.062 4.033 5.631 1.00 0.00 C ATOM 729 CD GLN A 49 -0.979 4.302 4.142 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.976 4.646 3.506 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.213 4.149 3.577 1.00 0.00 N ATOM 0 H GLN A 49 -0.631 1.039 4.146 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.880 1.430 7.036 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.804 2.864 5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.502 3.119 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.384 4.940 6.143 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.069 3.789 6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.012 3.862 4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.329 4.318 2.578 1.00 0.00 H new ATOM 740 N ALA A 50 -3.121 0.165 7.001 1.00 0.00 N ATOM 741 CA ALA A 50 -4.152 -0.868 7.022 1.00 0.00 C ATOM 742 C ALA A 50 -5.284 -0.488 7.973 1.00 0.00 C ATOM 743 O ALA A 50 -5.137 0.423 8.778 1.00 0.00 O ATOM 744 CB ALA A 50 -3.547 -2.200 7.424 1.00 0.00 C ATOM 0 H ALA A 50 -3.009 0.660 7.885 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.569 -0.958 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.325 -2.964 7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.775 -2.480 6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.106 -2.114 8.417 1.00 0.00 H new ATOM 750 N THR A 51 -6.419 -1.172 7.877 1.00 0.00 N ATOM 751 CA THR A 51 -7.550 -0.860 8.749 1.00 0.00 C ATOM 752 C THR A 51 -7.330 -1.401 10.164 1.00 0.00 C ATOM 753 O THR A 51 -6.992 -2.570 10.348 1.00 0.00 O ATOM 754 CB THR A 51 -8.843 -1.430 8.180 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.712 -2.813 7.914 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.275 -0.751 6.904 1.00 0.00 C ATOM 0 H THR A 51 -6.581 -1.933 7.217 1.00 0.00 H new ATOM 0 HA THR A 51 -7.629 0.226 8.802 1.00 0.00 H new ATOM 0 HB THR A 51 -9.600 -1.253 8.944 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.465 -3.296 8.314 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.202 -1.201 6.548 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.436 0.310 7.093 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.499 -0.871 6.147 1.00 0.00 H new ATOM 764 N PRO A 52 -7.512 -0.540 11.185 1.00 0.00 N ATOM 765 CA PRO A 52 -7.335 -0.889 12.589 1.00 0.00 C ATOM 766 C PRO A 52 -8.649 -1.241 13.274 1.00 0.00 C ATOM 767 O PRO A 52 -9.726 -0.979 12.739 1.00 0.00 O ATOM 768 CB PRO A 52 -6.787 0.411 13.154 1.00 0.00 C ATOM 769 CG PRO A 52 -7.540 1.467 12.412 1.00 0.00 C ATOM 770 CD PRO A 52 -7.901 0.879 11.062 1.00 0.00 C ATOM 0 HA PRO A 52 -6.703 -1.765 12.733 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.953 0.482 14.229 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.713 0.497 12.991 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.436 1.759 12.959 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.932 2.364 12.293 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.965 0.986 10.850 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.363 1.373 10.253 1.00 0.00 H new ATOM 778 N ALA A 53 -8.555 -1.822 14.470 1.00 0.00 N ATOM 779 CA ALA A 53 -9.739 -2.193 15.246 1.00 0.00 C ATOM 780 C ALA A 53 -10.775 -1.061 15.288 1.00 0.00 C ATOM 781 O ALA A 53 -11.933 -1.285 15.640 1.00 0.00 O ATOM 782 CB ALA A 53 -9.336 -2.590 16.658 1.00 0.00 C ATOM 0 H ALA A 53 -7.669 -2.046 14.924 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.205 -3.045 14.750 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.225 -2.864 17.227 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.655 -3.440 16.617 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.839 -1.751 17.144 1.00 0.00 H new ATOM 788 N SER A 54 -10.356 0.149 14.915 1.00 0.00 N ATOM 789 CA SER A 54 -11.247 1.305 14.897 1.00 0.00 C ATOM 790 C SER A 54 -12.400 1.066 13.948 1.00 0.00 C ATOM 791 O SER A 54 -13.503 1.579 14.136 1.00 0.00 O ATOM 792 CB SER A 54 -10.475 2.520 14.414 1.00 0.00 C ATOM 793 OG SER A 54 -11.221 3.711 14.592 1.00 0.00 O ATOM 0 H SER A 54 -9.401 0.352 14.621 1.00 0.00 H new ATOM 0 HA SER A 54 -11.632 1.467 15.904 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.533 2.594 14.958 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.226 2.399 13.360 1.00 0.00 H new ATOM 0 HG SER A 54 -10.697 4.476 14.273 1.00 0.00 H new ATOM 799 N SER A 55 -12.123 0.291 12.923 1.00 0.00 N ATOM 800 CA SER A 55 -13.118 -0.026 11.917 1.00 0.00 C ATOM 801 C SER A 55 -13.122 -1.509 11.576 1.00 0.00 C ATOM 802 O SER A 55 -12.088 -2.174 11.623 1.00 0.00 O ATOM 803 CB SER A 55 -12.833 0.778 10.660 1.00 0.00 C ATOM 804 OG SER A 55 -13.926 1.617 10.328 1.00 0.00 O ATOM 0 H SER A 55 -11.210 -0.135 12.762 1.00 0.00 H new ATOM 0 HA SER A 55 -14.098 0.229 12.320 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.939 1.383 10.808 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.626 0.101 9.831 1.00 0.00 H new ATOM 0 HG SER A 55 -14.097 2.239 11.066 1.00 0.00 H new ATOM 810 N GLU A 56 -14.290 -2.009 11.196 1.00 0.00 N ATOM 811 CA GLU A 56 -14.429 -3.401 10.803 1.00 0.00 C ATOM 812 C GLU A 56 -14.078 -3.560 9.325 1.00 0.00 C ATOM 813 O GLU A 56 -14.129 -4.661 8.776 1.00 0.00 O ATOM 814 CB GLU A 56 -15.855 -3.892 11.061 1.00 0.00 C ATOM 815 CG GLU A 56 -16.371 -3.557 12.451 1.00 0.00 C ATOM 816 CD GLU A 56 -17.873 -3.358 12.483 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.586 -4.104 11.778 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.338 -2.457 13.212 1.00 0.00 O ATOM 0 H GLU A 56 -15.154 -1.469 11.152 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.744 -4.003 11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.522 -3.452 10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.890 -4.972 10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.100 -4.359 13.138 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.881 -2.651 12.808 1.00 0.00 H new ATOM 825 N LYS A 57 -13.719 -2.443 8.686 1.00 0.00 N ATOM 826 CA LYS A 57 -13.358 -2.445 7.275 1.00 0.00 C ATOM 827 C LYS A 57 -12.123 -3.305 7.036 1.00 0.00 C ATOM 828 O LYS A 57 -11.661 -4.015 7.930 1.00 0.00 O ATOM 829 CB LYS A 57 -13.091 -1.014 6.779 1.00 0.00 C ATOM 830 CG LYS A 57 -13.993 0.050 7.387 1.00 0.00 C ATOM 831 CD LYS A 57 -15.457 -0.357 7.376 1.00 0.00 C ATOM 832 CE LYS A 57 -16.284 0.569 8.252 1.00 0.00 C ATOM 833 NZ LYS A 57 -17.746 0.353 8.065 1.00 0.00 N ATOM 0 H LYS A 57 -13.672 -1.526 9.130 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.196 -2.863 6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.054 -0.757 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.206 -0.992 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.680 0.245 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.874 0.982 6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.837 -0.334 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.556 -1.383 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.024 0.407 9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.038 1.605 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.275 1.004 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.999 0.532 7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.986 -0.628 8.312 1.00 0.00 H new ATOM 847 N MET A 58 -11.591 -3.228 5.824 1.00 0.00 N ATOM 848 CA MET A 58 -10.404 -3.986 5.451 1.00 0.00 C ATOM 849 C MET A 58 -9.755 -3.365 4.221 1.00 0.00 C ATOM 850 O MET A 58 -10.197 -3.590 3.095 1.00 0.00 O ATOM 851 CB MET A 58 -10.760 -5.450 5.178 1.00 0.00 C ATOM 852 CG MET A 58 -12.119 -5.643 4.527 1.00 0.00 C ATOM 853 SD MET A 58 -13.440 -5.881 5.730 1.00 0.00 S ATOM 854 CE MET A 58 -14.726 -6.550 4.681 1.00 0.00 C ATOM 0 H MET A 58 -11.966 -2.644 5.077 1.00 0.00 H new ATOM 0 HA MET A 58 -9.698 -3.954 6.281 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.995 -5.886 4.535 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.737 -6.000 6.119 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.348 -4.775 3.909 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.079 -6.506 3.862 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.696 -6.407 5.158 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.715 -6.037 3.719 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.552 -7.615 4.526 1.00 0.00 H new ATOM 864 N MET A 59 -8.714 -2.569 4.444 1.00 0.00 N ATOM 865 CA MET A 59 -8.023 -1.906 3.351 1.00 0.00 C ATOM 866 C MET A 59 -6.531 -1.775 3.623 1.00 0.00 C ATOM 867 O MET A 59 -6.117 -1.471 4.739 1.00 0.00 O ATOM 868 CB MET A 59 -8.610 -0.510 3.116 1.00 0.00 C ATOM 869 CG MET A 59 -10.115 -0.492 2.904 1.00 0.00 C ATOM 870 SD MET A 59 -11.047 -0.206 4.426 1.00 0.00 S ATOM 871 CE MET A 59 -10.339 1.332 5.029 1.00 0.00 C ATOM 0 H MET A 59 -8.334 -2.370 5.369 1.00 0.00 H new ATOM 0 HA MET A 59 -8.162 -2.523 2.463 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.368 0.122 3.970 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.127 -0.067 2.245 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.364 0.286 2.182 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.425 -1.442 2.469 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.502 1.411 6.104 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.269 1.345 4.823 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.816 2.174 4.527 1.00 0.00 H new ATOM 881 N LEU A 60 -5.735 -1.972 2.579 1.00 0.00 N ATOM 882 CA LEU A 60 -4.288 -1.841 2.675 1.00 0.00 C ATOM 883 C LEU A 60 -3.811 -0.821 1.646 1.00 0.00 C ATOM 884 O LEU A 60 -4.219 -0.866 0.488 1.00 0.00 O ATOM 885 CB LEU A 60 -3.594 -3.192 2.451 1.00 0.00 C ATOM 886 CG LEU A 60 -3.915 -4.289 3.478 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.962 -5.466 3.315 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.842 -3.753 4.901 1.00 0.00 C ATOM 0 H LEU A 60 -6.071 -2.225 1.650 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.029 -1.500 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.865 -3.558 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.516 -3.029 2.447 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.935 -4.628 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.203 -6.234 4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.063 -5.880 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.937 -5.128 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.074 -4.553 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.838 -3.378 5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.562 -2.944 5.022 1.00 0.00 H new ATOM 900 N ARG A 61 -2.966 0.113 2.070 1.00 0.00 N ATOM 901 CA ARG A 61 -2.471 1.148 1.168 1.00 0.00 C ATOM 902 C ARG A 61 -0.957 1.075 1.020 1.00 0.00 C ATOM 903 O ARG A 61 -0.236 0.867 1.995 1.00 0.00 O ATOM 904 CB ARG A 61 -2.878 2.533 1.678 1.00 0.00 C ATOM 905 CG ARG A 61 -2.297 3.681 0.866 1.00 0.00 C ATOM 906 CD ARG A 61 -3.330 4.769 0.618 1.00 0.00 C ATOM 907 NE ARG A 61 -3.206 5.870 1.571 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.766 7.065 1.400 1.00 0.00 C ATOM 909 NH1 ARG A 61 -4.489 7.318 0.316 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.604 8.010 2.316 1.00 0.00 N ATOM 0 H ARG A 61 -2.612 0.175 3.024 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.917 0.979 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.965 2.608 1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.559 2.636 2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.441 4.104 1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.929 3.303 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.216 5.153 -0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.330 4.341 0.686 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.658 5.713 2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.618 6.595 -0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.916 8.236 0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.050 7.821 3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.033 8.926 2.185 1.00 0.00 H new ATOM 924 N LEU A 62 -0.485 1.249 -0.210 1.00 0.00 N ATOM 925 CA LEU A 62 0.944 1.207 -0.497 1.00 0.00 C ATOM 926 C LEU A 62 1.360 2.422 -1.318 1.00 0.00 C ATOM 927 O LEU A 62 0.870 2.627 -2.428 1.00 0.00 O ATOM 928 CB LEU A 62 1.308 -0.076 -1.255 1.00 0.00 C ATOM 929 CG LEU A 62 0.456 -1.307 -0.928 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.358 -1.513 0.577 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.929 -1.179 -1.545 1.00 0.00 C ATOM 0 H LEU A 62 -1.073 1.421 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 62 1.478 1.219 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.232 0.122 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.351 -0.314 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 62 0.943 -2.182 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.251 -2.392 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.356 -1.657 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.101 -0.637 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.519 -2.063 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.423 -0.292 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.838 -1.090 -2.628 1.00 0.00 H new ATOM 943 N ILE A 63 2.267 3.224 -0.772 1.00 0.00 N ATOM 944 CA ILE A 63 2.741 4.413 -1.469 1.00 0.00 C ATOM 945 C ILE A 63 3.969 4.091 -2.309 1.00 0.00 C ATOM 946 O ILE A 63 4.938 3.518 -1.819 1.00 0.00 O ATOM 947 CB ILE A 63 3.077 5.559 -0.488 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.827 6.032 0.274 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.709 6.729 -1.231 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.518 5.444 -0.216 1.00 0.00 C ATOM 0 H ILE A 63 2.686 3.074 0.146 1.00 0.00 H new ATOM 0 HA ILE A 63 1.931 4.744 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 63 3.790 5.172 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.947 5.784 1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.768 7.118 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.939 7.527 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.627 6.398 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.014 7.100 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.304 5.837 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.367 5.713 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.549 4.359 -0.122 1.00 0.00 H new ATOM 962 N GLY A 64 3.909 4.463 -3.578 1.00 0.00 N ATOM 963 CA GLY A 64 5.011 4.207 -4.489 1.00 0.00 C ATOM 964 C GLY A 64 6.258 4.990 -4.145 1.00 0.00 C ATOM 965 O GLY A 64 7.369 4.570 -4.466 1.00 0.00 O ATOM 0 H GLY A 64 3.112 4.941 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.243 3.142 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.701 4.456 -5.504 1.00 0.00 H new ATOM 1311 N ARG A 86 -0.347 7.538 -4.376 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.844 6.619 -3.360 1.00 0.00 C ATOM 1313 C ARG A 86 -2.101 5.901 -3.840 1.00 0.00 C ATOM 1314 O ARG A 86 -2.860 6.433 -4.650 1.00 0.00 O ATOM 1315 CB ARG A 86 -1.137 7.372 -2.061 1.00 0.00 C ATOM 1316 CG ARG A 86 0.029 8.214 -1.569 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.223 8.751 -0.169 1.00 0.00 C ATOM 1318 NE ARG A 86 0.974 9.357 0.408 1.00 0.00 N ATOM 1319 CZ ARG A 86 1.003 9.950 1.599 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -0.095 10.019 2.342 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.134 10.476 2.050 1.00 0.00 N ATOM 0 HA ARG A 86 -0.072 5.873 -3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.002 8.018 -2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.407 6.653 -1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.939 7.614 -1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.194 9.045 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.023 9.490 -0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.565 7.940 0.474 1.00 0.00 H new ATOM 0 HE ARG A 86 1.838 9.324 -0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.968 9.616 2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.066 10.475 3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.981 10.426 1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.157 10.931 2.963 1.00 0.00 H new ATOM 1335 N HIS A 87 -2.314 4.691 -3.334 1.00 0.00 N ATOM 1336 CA HIS A 87 -3.481 3.899 -3.710 1.00 0.00 C ATOM 1337 C HIS A 87 -3.992 3.087 -2.525 1.00 0.00 C ATOM 1338 O HIS A 87 -3.207 2.531 -1.755 1.00 0.00 O ATOM 1339 CB HIS A 87 -3.148 2.962 -4.878 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.696 2.610 -4.987 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.839 3.217 -5.881 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.950 1.705 -4.310 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.370 2.700 -5.751 1.00 0.00 C ATOM 1344 NE2 HIS A 87 0.329 1.781 -4.804 1.00 0.00 N ATOM 0 H HIS A 87 -1.695 4.237 -2.663 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.264 4.589 -4.024 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.726 2.044 -4.769 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.468 3.431 -5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.296 1.046 -3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.243 2.981 -6.322 1.00 0.00 H new ATOM 0 HE2 HIS A 87 1.120 1.218 -4.490 1.00 0.00 H new ATOM 1353 N MET A 88 -5.312 3.020 -2.386 1.00 0.00 N ATOM 1354 CA MET A 88 -5.929 2.272 -1.295 1.00 0.00 C ATOM 1355 C MET A 88 -6.493 0.949 -1.796 1.00 0.00 C ATOM 1356 O MET A 88 -7.380 0.923 -2.649 1.00 0.00 O ATOM 1357 CB MET A 88 -7.043 3.095 -0.636 1.00 0.00 C ATOM 1358 CG MET A 88 -7.907 2.295 0.338 1.00 0.00 C ATOM 1359 SD MET A 88 -9.270 3.256 1.033 1.00 0.00 S ATOM 1360 CE MET A 88 -9.186 2.779 2.763 1.00 0.00 C ATOM 0 H MET A 88 -5.975 3.474 -3.014 1.00 0.00 H new ATOM 0 HA MET A 88 -5.157 2.065 -0.554 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.596 3.935 -0.105 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.681 3.514 -1.414 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.311 1.423 -0.176 1.00 0.00 H new ATOM 0 HG3 MET A 88 -7.281 1.925 1.150 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.074 2.203 3.025 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.297 2.171 2.930 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.136 3.673 3.385 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.986 -0.145 -1.246 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.453 -1.470 -1.620 1.00 0.00 C ATOM 1372 C PHE A 89 -7.547 -1.912 -0.659 1.00 0.00 C ATOM 1373 O PHE A 89 -7.346 -1.924 0.554 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.293 -2.466 -1.609 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.090 -3.150 -2.925 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.139 -3.804 -3.548 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.850 -3.134 -3.542 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.956 -4.430 -4.764 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.661 -3.760 -4.758 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.716 -4.407 -5.369 1.00 0.00 C ATOM 0 H PHE A 89 -5.251 -0.140 -0.539 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.860 -1.436 -2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.377 -1.944 -1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.475 -3.217 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.111 -3.824 -3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.023 -2.627 -3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.782 -4.937 -5.241 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.690 -3.743 -5.230 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.571 -4.896 -6.321 1.00 0.00 H new ATOM 1390 N SER A 90 -8.713 -2.246 -1.199 1.00 0.00 N ATOM 1391 CA SER A 90 -9.837 -2.653 -0.367 1.00 0.00 C ATOM 1392 C SER A 90 -10.400 -4.001 -0.790 1.00 0.00 C ATOM 1393 O SER A 90 -10.771 -4.197 -1.947 1.00 0.00 O ATOM 1394 CB SER A 90 -10.941 -1.599 -0.434 1.00 0.00 C ATOM 1395 OG SER A 90 -10.485 -0.350 0.055 1.00 0.00 O ATOM 0 H SER A 90 -8.904 -2.243 -2.201 1.00 0.00 H new ATOM 0 HA SER A 90 -9.470 -2.748 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.280 -1.488 -1.464 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.800 -1.930 0.150 1.00 0.00 H new ATOM 0 HG SER A 90 -11.210 0.307 -0.000 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.484 -4.919 0.165 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.031 -6.241 -0.097 1.00 0.00 C ATOM 1403 C PHE A 91 -12.160 -6.535 0.882 1.00 0.00 C ATOM 1404 O PHE A 91 -12.373 -5.786 1.834 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.960 -7.346 -0.023 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.621 -6.939 0.540 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.935 -5.832 0.061 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.035 -7.697 1.540 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.695 -5.495 0.570 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.801 -7.364 2.050 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.128 -6.263 1.565 1.00 0.00 C ATOM 0 H PHE A 91 -10.180 -4.771 1.127 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.417 -6.239 -1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.352 -8.163 0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.804 -7.740 -1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.375 -5.227 -0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.554 -8.562 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.171 -4.631 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.360 -7.966 2.831 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.159 -6.002 1.964 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.888 -7.617 0.642 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.998 -7.990 1.510 1.00 0.00 C ATOM 1423 C ASN A 92 -13.576 -9.068 2.499 1.00 0.00 C ATOM 1424 O ASN A 92 -14.387 -9.896 2.914 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.184 -8.480 0.676 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.100 -7.348 0.253 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -17.206 -7.202 0.772 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.642 -6.540 -0.696 1.00 0.00 N ATOM 0 H ASN A 92 -12.732 -8.250 -0.143 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.300 -7.106 2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.813 -8.994 -0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.754 -9.209 1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.214 -5.761 -1.022 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.718 -6.698 -1.099 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.302 -9.052 2.873 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.775 -10.031 3.815 1.00 0.00 C ATOM 1437 C ASN A 93 -11.002 -9.356 4.941 1.00 0.00 C ATOM 1438 O ASN A 93 -9.901 -8.847 4.735 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.876 -11.034 3.091 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.647 -12.231 2.572 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -11.830 -12.390 1.365 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -12.103 -13.082 3.484 1.00 0.00 N ATOM 0 H ASN A 93 -11.617 -8.374 2.539 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.621 -10.560 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.378 -10.537 2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.095 -11.375 3.771 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.628 -13.907 3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -11.928 -12.911 4.474 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.586 -9.366 6.135 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.954 -8.764 7.302 1.00 0.00 C ATOM 1451 C ARG A 94 -9.910 -9.707 7.892 1.00 0.00 C ATOM 1452 O ARG A 94 -8.930 -9.267 8.493 1.00 0.00 O ATOM 1453 CB ARG A 94 -12.006 -8.421 8.359 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.574 -7.319 9.312 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.758 -6.741 10.070 1.00 0.00 C ATOM 1456 NE ARG A 94 -12.854 -7.277 11.426 1.00 0.00 N ATOM 1457 CZ ARG A 94 -12.109 -6.854 12.445 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -11.213 -5.891 12.266 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -12.261 -7.394 13.646 1.00 0.00 N ATOM 0 H ARG A 94 -12.497 -9.785 6.319 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.457 -7.846 6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.926 -8.118 7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.237 -9.318 8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.845 -7.714 10.020 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.077 -6.527 8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.665 -5.656 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.678 -6.960 9.528 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.532 -8.019 11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.093 -5.471 11.344 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.645 -5.571 13.050 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.949 -8.134 13.789 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.690 -7.070 14.427 1.00 0.00 H new ATOM 1473 N THR A 95 -10.127 -11.007 7.713 1.00 0.00 N ATOM 1474 CA THR A 95 -9.206 -12.014 8.224 1.00 0.00 C ATOM 1475 C THR A 95 -7.934 -12.053 7.383 1.00 0.00 C ATOM 1476 O THR A 95 -6.823 -12.049 7.914 1.00 0.00 O ATOM 1477 CB THR A 95 -9.889 -13.389 8.251 1.00 0.00 C ATOM 1478 OG1 THR A 95 -9.491 -14.123 9.395 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.608 -14.253 7.035 1.00 0.00 C ATOM 0 H THR A 95 -10.934 -11.387 7.217 1.00 0.00 H new ATOM 0 HA THR A 95 -8.926 -11.749 9.244 1.00 0.00 H new ATOM 0 HB THR A 95 -10.955 -13.164 8.264 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.938 -14.995 9.396 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.129 -15.205 7.137 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.957 -13.743 6.137 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.536 -14.433 6.956 1.00 0.00 H new ATOM 1487 N VAL A 96 -8.108 -12.086 6.067 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.976 -12.120 5.148 1.00 0.00 C ATOM 1489 C VAL A 96 -6.113 -10.879 5.313 1.00 0.00 C ATOM 1490 O VAL A 96 -4.926 -10.969 5.626 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.432 -12.202 3.679 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.241 -12.438 2.763 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.476 -13.290 3.494 1.00 0.00 C ATOM 0 H VAL A 96 -9.021 -12.090 5.612 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.402 -13.014 5.393 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.889 -11.249 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.582 -12.493 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.533 -11.616 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.753 -13.374 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.781 -13.327 2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.054 -14.252 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.343 -13.072 4.118 1.00 0.00 H new ATOM 1503 N MET A 97 -6.721 -9.718 5.089 1.00 0.00 N ATOM 1504 CA MET A 97 -6.018 -8.444 5.199 1.00 0.00 C ATOM 1505 C MET A 97 -5.139 -8.373 6.446 1.00 0.00 C ATOM 1506 O MET A 97 -3.946 -8.085 6.362 1.00 0.00 O ATOM 1507 CB MET A 97 -7.021 -7.292 5.212 1.00 0.00 C ATOM 1508 CG MET A 97 -8.122 -7.432 6.255 1.00 0.00 C ATOM 1509 SD MET A 97 -7.815 -6.472 7.755 1.00 0.00 S ATOM 1510 CE MET A 97 -6.969 -5.040 7.093 1.00 0.00 C ATOM 0 H MET A 97 -7.704 -9.633 4.829 1.00 0.00 H new ATOM 0 HA MET A 97 -5.365 -8.360 4.330 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.484 -6.360 5.390 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.479 -7.213 4.226 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.069 -7.116 5.818 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.229 -8.484 6.521 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.859 -4.289 7.875 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.984 -5.334 6.732 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.548 -4.624 6.269 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.742 -8.617 7.600 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.027 -8.563 8.871 1.00 0.00 C ATOM 1522 C ASP A 98 -3.757 -9.411 8.846 1.00 0.00 C ATOM 1523 O ASP A 98 -2.817 -9.154 9.597 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.938 -9.029 10.008 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.470 -8.535 11.363 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.818 -7.471 11.415 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.756 -9.212 12.373 1.00 0.00 O ATOM 0 H ASP A 98 -6.730 -8.856 7.685 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.733 -7.527 9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.952 -8.675 9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.977 -10.118 10.015 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.737 -10.424 7.988 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.582 -11.308 7.883 1.00 0.00 C ATOM 1534 C ASN A 99 -1.545 -10.764 6.905 1.00 0.00 C ATOM 1535 O ASN A 99 -0.343 -10.925 7.114 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.023 -12.706 7.447 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.561 -13.529 8.601 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.062 -13.446 9.723 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.584 -14.331 8.330 1.00 0.00 N ATOM 0 H ASN A 99 -4.505 -10.653 7.357 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.120 -11.364 8.868 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.791 -12.618 6.678 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.178 -13.226 6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -4.987 -14.910 9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.967 -14.368 7.385 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.010 -10.135 5.832 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.107 -9.589 4.826 1.00 0.00 C ATOM 1548 C ILE A 100 -0.661 -8.164 5.164 1.00 0.00 C ATOM 1549 O ILE A 100 0.403 -7.724 4.729 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.745 -9.620 3.420 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.658 -9.513 2.346 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.776 -8.510 3.262 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.198 -9.237 0.957 1.00 0.00 C ATOM 0 H ILE A 100 -3.001 -9.991 5.637 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.224 -10.228 4.826 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.263 -10.571 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.035 -8.718 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.087 -10.441 2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.209 -8.555 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.563 -8.636 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.294 -7.543 3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.370 -9.175 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.868 -10.044 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.744 -8.294 0.960 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.473 -7.443 5.937 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.144 -6.076 6.316 1.00 0.00 C ATOM 1567 C LYS A 101 0.134 -6.032 7.142 1.00 0.00 C ATOM 1568 O LYS A 101 0.930 -5.100 7.030 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.296 -5.470 7.112 1.00 0.00 C ATOM 1570 CG LYS A 101 -2.563 -6.172 8.430 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.286 -5.264 9.614 1.00 0.00 C ATOM 1572 CE LYS A 101 -3.360 -4.201 9.742 1.00 0.00 C ATOM 1573 NZ LYS A 101 -4.250 -4.446 10.910 1.00 0.00 N ATOM 0 H LYS A 101 -2.359 -7.784 6.310 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.984 -5.496 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.078 -4.420 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.201 -5.500 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.600 -6.505 8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.940 -7.063 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.243 -5.855 10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.312 -4.790 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.891 -3.222 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.957 -4.177 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.162 -3.970 10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.407 -5.468 11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.804 -4.071 11.771 1.00 0.00 H new ATOM 1587 N MET A 102 0.319 -7.048 7.971 1.00 0.00 N ATOM 1588 CA MET A 102 1.498 -7.136 8.826 1.00 0.00 C ATOM 1589 C MET A 102 2.734 -7.491 8.008 1.00 0.00 C ATOM 1590 O MET A 102 3.822 -6.969 8.252 1.00 0.00 O ATOM 1591 CB MET A 102 1.280 -8.172 9.932 1.00 0.00 C ATOM 1592 CG MET A 102 1.197 -9.602 9.425 1.00 0.00 C ATOM 1593 SD MET A 102 2.806 -10.415 9.370 1.00 0.00 S ATOM 1594 CE MET A 102 2.321 -12.100 9.008 1.00 0.00 C ATOM 0 H MET A 102 -0.333 -7.826 8.072 1.00 0.00 H new ATOM 0 HA MET A 102 1.658 -6.161 9.286 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.095 -8.098 10.652 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.361 -7.932 10.466 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.528 -10.173 10.068 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.759 -9.605 8.427 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.209 -12.728 8.942 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.672 -12.470 9.802 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.786 -12.129 8.059 1.00 0.00 H new ATOM 1604 N THR A 103 2.559 -8.377 7.031 1.00 0.00 N ATOM 1605 CA THR A 103 3.664 -8.794 6.172 1.00 0.00 C ATOM 1606 C THR A 103 4.351 -7.579 5.556 1.00 0.00 C ATOM 1607 O THR A 103 5.574 -7.547 5.418 1.00 0.00 O ATOM 1608 CB THR A 103 3.159 -9.724 5.068 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.362 -10.761 5.611 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.274 -10.369 4.273 1.00 0.00 C ATOM 0 H THR A 103 1.666 -8.819 6.815 1.00 0.00 H new ATOM 0 HA THR A 103 4.388 -9.333 6.783 1.00 0.00 H new ATOM 0 HB THR A 103 2.578 -9.089 4.399 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.047 -11.344 4.889 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.847 -11.016 3.507 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.878 -9.595 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.901 -10.961 4.940 1.00 0.00 H new ATOM 1618 N LEU A 104 3.553 -6.581 5.195 1.00 0.00 N ATOM 1619 CA LEU A 104 4.077 -5.358 4.601 1.00 0.00 C ATOM 1620 C LEU A 104 4.582 -4.405 5.677 1.00 0.00 C ATOM 1621 O LEU A 104 5.676 -3.852 5.567 1.00 0.00 O ATOM 1622 CB LEU A 104 2.996 -4.669 3.762 1.00 0.00 C ATOM 1623 CG LEU A 104 2.521 -5.437 2.520 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.351 -4.487 1.346 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.487 -6.558 2.155 1.00 0.00 C ATOM 0 H LEU A 104 2.539 -6.595 5.304 1.00 0.00 H new ATOM 0 HA LEU A 104 4.913 -5.627 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.133 -4.480 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.375 -3.698 3.442 1.00 0.00 H new ATOM 0 HG LEU A 104 1.557 -5.889 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.014 -5.045 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.612 -3.726 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.305 -4.008 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.120 -7.081 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.470 -6.137 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.562 -7.259 2.986 1.00 0.00 H new ATOM 1637 N GLN A 105 3.776 -4.217 6.720 1.00 0.00 N ATOM 1638 CA GLN A 105 4.137 -3.328 7.822 1.00 0.00 C ATOM 1639 C GLN A 105 5.565 -3.587 8.288 1.00 0.00 C ATOM 1640 O GLN A 105 6.356 -2.657 8.448 1.00 0.00 O ATOM 1641 CB GLN A 105 3.167 -3.511 8.990 1.00 0.00 C ATOM 1642 CG GLN A 105 1.877 -2.722 8.838 1.00 0.00 C ATOM 1643 CD GLN A 105 1.001 -2.793 10.073 1.00 0.00 C ATOM 1644 OE1 GLN A 105 1.306 -3.512 11.025 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -0.096 -2.045 10.063 1.00 0.00 N ATOM 0 H GLN A 105 2.868 -4.669 6.825 1.00 0.00 H new ATOM 0 HA GLN A 105 4.074 -2.301 7.462 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.926 -4.569 9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.662 -3.209 9.913 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.116 -1.680 8.626 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.322 -3.103 7.981 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.310 -1.464 9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.725 -2.051 10.866 1.00 0.00 H new ATOM 1654 N GLN A 106 5.889 -4.857 8.500 1.00 0.00 N ATOM 1655 CA GLN A 106 7.222 -5.239 8.942 1.00 0.00 C ATOM 1656 C GLN A 106 8.269 -4.831 7.911 1.00 0.00 C ATOM 1657 O GLN A 106 9.292 -4.238 8.252 1.00 0.00 O ATOM 1658 CB GLN A 106 7.290 -6.748 9.186 1.00 0.00 C ATOM 1659 CG GLN A 106 6.569 -7.192 10.449 1.00 0.00 C ATOM 1660 CD GLN A 106 7.026 -8.555 10.931 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.519 -8.697 12.051 1.00 0.00 O ATOM 1662 NE2 GLN A 106 6.865 -9.566 10.086 1.00 0.00 N ATOM 0 H GLN A 106 5.246 -5.639 8.373 1.00 0.00 H new ATOM 0 HA GLN A 106 7.433 -4.719 9.877 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.858 -7.266 8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.335 -7.051 9.248 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.737 -6.457 11.236 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.496 -7.218 10.260 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.452 -9.402 9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.154 -10.506 10.355 1.00 0.00 H new ATOM 1671 N ILE A 107 8.009 -5.158 6.647 1.00 0.00 N ATOM 1672 CA ILE A 107 8.924 -4.833 5.568 1.00 0.00 C ATOM 1673 C ILE A 107 9.255 -3.345 5.538 1.00 0.00 C ATOM 1674 O ILE A 107 10.421 -2.968 5.620 1.00 0.00 O ATOM 1675 CB ILE A 107 8.350 -5.296 4.208 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.121 -6.516 3.731 1.00 0.00 C ATOM 1677 CG2 ILE A 107 8.391 -4.192 3.158 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.474 -7.225 2.560 1.00 0.00 C ATOM 0 H ILE A 107 7.167 -5.650 6.349 1.00 0.00 H new ATOM 0 HA ILE A 107 9.854 -5.370 5.752 1.00 0.00 H new ATOM 0 HB ILE A 107 7.300 -5.552 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.128 -6.210 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.222 -7.218 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 107 7.978 -4.565 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.802 -3.341 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.423 -3.878 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.080 -8.085 2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.477 -7.562 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.398 -6.539 1.716 1.00 0.00 H new ATOM 1690 N ILE A 108 8.234 -2.501 5.422 1.00 0.00 N ATOM 1691 CA ILE A 108 8.451 -1.058 5.385 1.00 0.00 C ATOM 1692 C ILE A 108 9.398 -0.635 6.491 1.00 0.00 C ATOM 1693 O ILE A 108 10.472 -0.099 6.243 1.00 0.00 O ATOM 1694 CB ILE A 108 7.135 -0.269 5.530 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.083 -0.784 4.545 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.384 1.216 5.316 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.586 -0.907 3.122 1.00 0.00 C ATOM 0 H ILE A 108 7.257 -2.787 5.353 1.00 0.00 H new ATOM 0 HA ILE A 108 8.885 -0.831 4.411 1.00 0.00 H new ATOM 0 HB ILE A 108 6.755 -0.416 6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.730 -1.759 4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.225 -0.112 4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.446 1.761 5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.098 1.576 6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 108 7.787 1.377 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.784 -1.278 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.912 0.070 2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.425 -1.602 3.091 1.00 0.00 H new ATOM 1709 N SER A 109 8.989 -0.900 7.711 1.00 0.00 N ATOM 1710 CA SER A 109 9.790 -0.567 8.878 1.00 0.00 C ATOM 1711 C SER A 109 11.203 -1.129 8.754 1.00 0.00 C ATOM 1712 O SER A 109 12.141 -0.622 9.367 1.00 0.00 O ATOM 1713 CB SER A 109 9.124 -1.120 10.134 1.00 0.00 C ATOM 1714 OG SER A 109 9.630 -0.496 11.301 1.00 0.00 O ATOM 0 H SER A 109 8.099 -1.349 7.927 1.00 0.00 H new ATOM 0 HA SER A 109 9.859 0.519 8.946 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.047 -0.966 10.075 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.290 -2.196 10.193 1.00 0.00 H new ATOM 0 HG SER A 109 9.185 -0.868 12.090 1.00 0.00 H new ATOM 1720 N ARG A 110 11.347 -2.183 7.960 1.00 0.00 N ATOM 1721 CA ARG A 110 12.643 -2.813 7.762 1.00 0.00 C ATOM 1722 C ARG A 110 13.408 -2.138 6.624 1.00 0.00 C ATOM 1723 O ARG A 110 14.590 -1.823 6.762 1.00 0.00 O ATOM 1724 CB ARG A 110 12.456 -4.314 7.489 1.00 0.00 C ATOM 1725 CG ARG A 110 12.848 -4.760 6.085 1.00 0.00 C ATOM 1726 CD ARG A 110 12.628 -6.252 5.893 1.00 0.00 C ATOM 1727 NE ARG A 110 13.862 -7.014 6.067 1.00 0.00 N ATOM 1728 CZ ARG A 110 14.032 -8.259 5.627 1.00 0.00 C ATOM 1729 NH1 ARG A 110 13.052 -8.885 4.988 1.00 0.00 N ATOM 1730 NH2 ARG A 110 15.187 -8.880 5.827 1.00 0.00 N ATOM 0 H ARG A 110 10.582 -2.618 7.444 1.00 0.00 H new ATOM 0 HA ARG A 110 13.235 -2.695 8.670 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.046 -4.877 8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.411 -4.573 7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.263 -4.207 5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 110 13.896 -4.519 5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 110 11.882 -6.603 6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.227 -6.434 4.896 1.00 0.00 H new ATOM 0 HE ARG A 110 14.638 -6.566 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 110 12.162 -8.412 4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.189 -9.839 4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 110 15.944 -8.404 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 110 15.318 -9.834 5.490 1.00 0.00 H new ATOM 1744 N TYR A 111 12.733 -1.932 5.497 1.00 0.00 N ATOM 1745 CA TYR A 111 13.365 -1.310 4.336 1.00 0.00 C ATOM 1746 C TYR A 111 13.424 0.213 4.450 1.00 0.00 C ATOM 1747 O TYR A 111 14.447 0.818 4.138 1.00 0.00 O ATOM 1748 CB TYR A 111 12.633 -1.708 3.051 1.00 0.00 C ATOM 1749 CG TYR A 111 12.717 -3.185 2.716 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.673 -4.007 3.305 1.00 0.00 C ATOM 1751 CD2 TYR A 111 11.837 -3.756 1.805 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.747 -5.352 2.995 1.00 0.00 C ATOM 1753 CE2 TYR A 111 11.905 -5.100 1.491 1.00 0.00 C ATOM 1754 CZ TYR A 111 12.861 -5.893 2.089 1.00 0.00 C ATOM 1755 OH TYR A 111 12.933 -7.232 1.778 1.00 0.00 O ATOM 0 H TYR A 111 11.754 -2.185 5.362 1.00 0.00 H new ATOM 0 HA TYR A 111 14.391 -1.676 4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.584 -1.427 3.143 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.045 -1.135 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.369 -3.587 4.016 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.087 -3.139 1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.496 -5.976 3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.213 -5.527 0.781 1.00 0.00 H new ATOM 0 HH TYR A 111 13.275 -7.729 2.550 1.00 0.00 H new ATOM 1765 N LYS A 112 12.337 0.831 4.900 1.00 0.00 N ATOM 1766 CA LYS A 112 12.289 2.282 5.053 1.00 0.00 C ATOM 1767 C LYS A 112 13.507 2.760 5.824 1.00 0.00 C ATOM 1768 O LYS A 112 14.233 3.659 5.397 1.00 0.00 O ATOM 1769 CB LYS A 112 10.995 2.669 5.778 1.00 0.00 C ATOM 1770 CG LYS A 112 11.155 3.026 7.244 1.00 0.00 C ATOM 1771 CD LYS A 112 9.893 3.661 7.805 1.00 0.00 C ATOM 1772 CE LYS A 112 9.998 5.177 7.836 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.296 5.759 9.013 1.00 0.00 N ATOM 0 H LYS A 112 11.477 0.350 5.165 1.00 0.00 H new ATOM 0 HA LYS A 112 12.299 2.759 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.548 3.518 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.291 1.841 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.396 2.128 7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.993 3.713 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.036 3.367 7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.714 3.287 8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.048 5.468 7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.574 5.589 6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.391 6.794 8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.288 5.504 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.717 5.386 9.888 1.00 0.00 H new ATOM 1969 N ASP B 70 -12.263 4.999 4.755 1.00 0.00 N ATOM 1970 CA ASP B 70 -11.849 6.087 5.633 1.00 0.00 C ATOM 1971 C ASP B 70 -11.016 5.558 6.790 1.00 0.00 C ATOM 1972 O ASP B 70 -9.818 5.822 6.886 1.00 0.00 O ATOM 1973 CB ASP B 70 -13.072 6.835 6.168 1.00 0.00 C ATOM 1974 CG ASP B 70 -12.846 8.332 6.247 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -12.415 8.922 5.233 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -13.099 8.915 7.322 1.00 0.00 O ATOM 0 HA ASP B 70 -11.238 6.778 5.053 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -13.928 6.633 5.524 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.322 6.455 7.159 1.00 0.00 H new ATOM 1981 N ALA B 71 -11.667 4.805 7.657 1.00 0.00 N ATOM 1982 CA ALA B 71 -11.008 4.217 8.817 1.00 0.00 C ATOM 1983 C ALA B 71 -9.849 3.327 8.392 1.00 0.00 C ATOM 1984 O ALA B 71 -10.019 2.121 8.211 1.00 0.00 O ATOM 1985 CB ALA B 71 -12.002 3.418 9.635 1.00 0.00 C ATOM 0 H ALA B 71 -12.660 4.583 7.582 1.00 0.00 H new ATOM 0 HA ALA B 71 -10.612 5.028 9.429 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -11.497 2.984 10.498 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -12.804 4.074 9.975 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -12.421 2.621 9.021 1.00 0.00 H new ATOM 1991 N THR B 72 -8.673 3.922 8.226 1.00 0.00 N ATOM 1992 CA THR B 72 -7.501 3.160 7.812 1.00 0.00 C ATOM 1993 C THR B 72 -6.243 4.020 7.746 1.00 0.00 C ATOM 1994 O THR B 72 -5.130 3.511 7.853 1.00 0.00 O ATOM 1995 CB THR B 72 -7.758 2.535 6.456 1.00 0.00 C ATOM 1996 OG1 THR B 72 -6.603 1.873 5.975 1.00 0.00 O ATOM 1997 CG2 THR B 72 -8.176 3.558 5.433 1.00 0.00 C ATOM 0 H THR B 72 -8.507 4.918 8.370 1.00 0.00 H new ATOM 0 HA THR B 72 -7.331 2.388 8.562 1.00 0.00 H new ATOM 0 HB THR B 72 -8.569 1.820 6.598 1.00 0.00 H new ATOM 0 HG1 THR B 72 -5.987 2.530 5.587 1.00 0.00 H new ATOM 0 HG21 THR B 72 -8.350 3.066 4.476 1.00 0.00 H new ATOM 0 HG22 THR B 72 -9.093 4.047 5.761 1.00 0.00 H new ATOM 0 HG23 THR B 72 -7.388 4.303 5.320 1.00 0.00 H new ATOM 2005 N TRP B 73 -6.414 5.317 7.546 1.00 0.00 N ATOM 2006 CA TRP B 73 -5.274 6.220 7.463 1.00 0.00 C ATOM 2007 C TRP B 73 -4.979 6.869 8.812 1.00 0.00 C ATOM 2008 O TRP B 73 -4.540 8.018 8.869 1.00 0.00 O ATOM 2009 CB TRP B 73 -5.533 7.301 6.424 1.00 0.00 C ATOM 2010 CG TRP B 73 -6.098 6.777 5.145 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -6.907 7.449 4.290 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -5.899 5.478 4.574 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -7.223 6.657 3.219 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -6.611 5.444 3.366 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -5.187 4.346 4.961 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -6.626 4.323 2.542 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -5.203 3.231 4.147 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -5.914 3.228 2.948 1.00 0.00 C ATOM 0 H TRP B 73 -7.323 5.767 7.439 1.00 0.00 H new ATOM 0 HA TRP B 73 -4.406 5.630 7.168 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -6.221 8.037 6.841 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -4.599 7.822 6.213 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -7.252 8.462 4.433 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -7.819 6.929 2.437 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -4.629 4.340 5.886 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -7.180 4.318 1.615 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.657 2.348 4.444 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -5.902 2.344 2.328 1.00 0.00 H new ATOM 2029 N ASP B 74 -5.217 6.138 9.897 1.00 0.00 N ATOM 2030 CA ASP B 74 -4.965 6.673 11.230 1.00 0.00 C ATOM 2031 C ASP B 74 -4.505 5.590 12.200 1.00 0.00 C ATOM 2032 O ASP B 74 -4.794 5.651 13.395 1.00 0.00 O ATOM 2033 CB ASP B 74 -6.218 7.363 11.771 1.00 0.00 C ATOM 2034 CG ASP B 74 -5.889 8.461 12.764 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -4.919 8.295 13.534 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -6.601 9.487 12.772 1.00 0.00 O ATOM 0 H ASP B 74 -5.580 5.185 9.881 1.00 0.00 H new ATOM 0 HA ASP B 74 -4.160 7.403 11.142 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -6.784 7.785 10.941 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -6.859 6.623 12.250 1.00 0.00 H new ATOM 2041 N LEU B 75 -3.770 4.615 11.685 1.00 0.00 N ATOM 2042 CA LEU B 75 -3.251 3.534 12.518 1.00 0.00 C ATOM 2043 C LEU B 75 -1.799 3.207 12.168 1.00 0.00 C ATOM 2044 O LEU B 75 -1.046 2.714 13.008 1.00 0.00 O ATOM 2045 CB LEU B 75 -4.135 2.279 12.431 1.00 0.00 C ATOM 2046 CG LEU B 75 -4.470 1.773 11.024 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -5.330 2.778 10.273 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -3.199 1.468 10.250 1.00 0.00 C ATOM 0 H LEU B 75 -3.519 4.548 10.699 1.00 0.00 H new ATOM 0 HA LEU B 75 -3.274 3.883 13.550 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -3.639 1.474 12.973 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -5.071 2.484 12.951 1.00 0.00 H new ATOM 0 HG LEU B 75 -5.042 0.850 11.123 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -5.553 2.394 9.278 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -6.261 2.939 10.817 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.793 3.723 10.186 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -3.457 1.110 9.253 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -2.598 2.373 10.166 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.629 0.701 10.775 1.00 0.00 H new