USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.41) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.11! C(o=-2.1!,f=-8.2!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=0) USER MOD Single : A 18 MET CE :methyl -140:sc= -0.0203 (180deg=-1.26) USER MOD Single : A 24 SER OG : rot 9:sc= 0.587 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -130:sc= 1.25 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 40 MET CE :methyl -161:sc= -0.159 (180deg=-0.788) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -37:sc= 1.01 USER MOD Single : A 51 THR OG1 : rot -104:sc= -0.0462 USER MOD Single : A 55 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0.015) USER MOD Single : A 62 LYS NZ :NH3+ 145:sc= 0.886 (180deg=-0.82!) USER MOD Single : A 64 GLN : amide:sc= -0.013 K(o=-0.013,f=-8.9!) USER MOD Single : A 65 ASN : amide:sc= 1.09 K(o=1.1,f=-0.2) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= -0.033 (180deg=-0.262) USER MOD Single : A 71 THR OG1 : rot -42:sc= 0.0181 USER MOD Single : A 72 ASN : amide:sc= -1.23 K(o=-1.2,f=-6.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -9.622 -19.702 4.646 1.00 0.00 N ATOM 2 CA SER A 7 -11.006 -19.572 4.236 1.00 0.00 C ATOM 3 C SER A 7 -11.155 -18.235 3.531 1.00 0.00 C ATOM 4 O SER A 7 -10.722 -17.199 4.053 1.00 0.00 O ATOM 5 CB SER A 7 -11.909 -19.644 5.480 1.00 0.00 C ATOM 6 OG SER A 7 -13.306 -19.670 5.168 1.00 0.00 O ATOM 0 HA SER A 7 -11.298 -20.375 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.656 -20.536 6.053 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.703 -18.786 6.119 1.00 0.00 H new ATOM 0 HG SER A 7 -13.826 -19.718 5.998 1.00 0.00 H new ATOM 12 N GLY A 8 -11.691 -18.263 2.330 1.00 0.00 N ATOM 13 CA GLY A 8 -11.948 -17.055 1.605 1.00 0.00 C ATOM 14 C GLY A 8 -13.410 -16.721 1.722 1.00 0.00 C ATOM 15 O GLY A 8 -14.249 -17.412 1.153 1.00 0.00 O ATOM 0 H GLY A 8 -11.956 -19.118 1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.342 -16.241 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.671 -17.177 0.558 1.00 0.00 H new ATOM 19 N ARG A 9 -13.735 -15.713 2.492 1.00 0.00 N ATOM 20 CA ARG A 9 -15.123 -15.356 2.679 1.00 0.00 C ATOM 21 C ARG A 9 -15.592 -14.316 1.688 1.00 0.00 C ATOM 22 O ARG A 9 -14.947 -13.288 1.468 1.00 0.00 O ATOM 23 CB ARG A 9 -15.453 -14.922 4.113 1.00 0.00 C ATOM 24 CG ARG A 9 -14.547 -13.850 4.708 1.00 0.00 C ATOM 25 CD ARG A 9 -15.090 -13.357 6.042 1.00 0.00 C ATOM 26 NE ARG A 9 -15.401 -14.463 6.957 1.00 0.00 N ATOM 27 CZ ARG A 9 -16.111 -14.346 8.087 1.00 0.00 C ATOM 28 NH1 ARG A 9 -16.425 -13.142 8.568 1.00 0.00 N ATOM 29 NH2 ARG A 9 -16.477 -15.437 8.748 1.00 0.00 N ATOM 0 H ARG A 9 -13.067 -15.129 2.996 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.676 -16.276 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.479 -14.556 4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.415 -15.801 4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.543 -14.252 4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.463 -13.014 4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.359 -12.697 6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.990 -12.766 5.870 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.050 -15.389 6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.124 -12.301 8.075 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.966 -13.062 9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.218 -16.358 8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.018 -15.354 9.609 1.00 0.00 H new ATOM 43 N GLU A 10 -16.706 -14.613 1.083 1.00 0.00 N ATOM 44 CA GLU A 10 -17.371 -13.710 0.186 1.00 0.00 C ATOM 45 C GLU A 10 -18.542 -13.156 0.938 1.00 0.00 C ATOM 46 O GLU A 10 -19.590 -13.784 1.077 1.00 0.00 O ATOM 47 CB GLU A 10 -17.805 -14.395 -1.092 1.00 0.00 C ATOM 48 CG GLU A 10 -16.639 -14.898 -1.897 1.00 0.00 C ATOM 49 CD GLU A 10 -17.075 -15.638 -3.130 1.00 0.00 C ATOM 50 OE1 GLU A 10 -17.191 -15.014 -4.210 1.00 0.00 O ATOM 51 OE2 GLU A 10 -17.333 -16.854 -3.059 1.00 0.00 O ATOM 0 H GLU A 10 -17.187 -15.505 1.201 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.695 -12.915 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -18.462 -15.230 -0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.386 -13.698 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.009 -14.056 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.029 -15.556 -1.278 1.00 0.00 H new ATOM 58 N ASN A 11 -18.305 -12.016 1.490 1.00 0.00 N ATOM 59 CA ASN A 11 -19.250 -11.340 2.339 1.00 0.00 C ATOM 60 C ASN A 11 -18.968 -9.864 2.155 1.00 0.00 C ATOM 61 O ASN A 11 -18.012 -9.523 1.437 1.00 0.00 O ATOM 62 CB ASN A 11 -18.988 -11.774 3.795 1.00 0.00 C ATOM 63 CG ASN A 11 -20.087 -11.401 4.770 1.00 0.00 C ATOM 64 OD1 ASN A 11 -20.090 -10.324 5.367 1.00 0.00 O ATOM 65 ND2 ASN A 11 -21.018 -12.297 4.965 1.00 0.00 N ATOM 0 H ASN A 11 -17.429 -11.508 1.366 1.00 0.00 H new ATOM 0 HA ASN A 11 -20.289 -11.569 2.100 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -18.850 -12.855 3.819 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -18.053 -11.326 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -21.773 -12.113 5.626 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -20.990 -13.181 4.456 1.00 0.00 H new ATOM 72 N LEU A 12 -19.760 -8.993 2.749 1.00 0.00 N ATOM 73 CA LEU A 12 -19.489 -7.578 2.652 1.00 0.00 C ATOM 74 C LEU A 12 -18.255 -7.311 3.496 1.00 0.00 C ATOM 75 O LEU A 12 -18.050 -7.945 4.537 1.00 0.00 O ATOM 76 CB LEU A 12 -20.712 -6.738 3.085 1.00 0.00 C ATOM 77 CG LEU A 12 -21.123 -6.784 4.562 1.00 0.00 C ATOM 78 CD1 LEU A 12 -20.420 -5.713 5.389 1.00 0.00 C ATOM 79 CD2 LEU A 12 -22.627 -6.699 4.721 1.00 0.00 C ATOM 0 H LEU A 12 -20.585 -9.238 3.296 1.00 0.00 H new ATOM 0 HA LEU A 12 -19.299 -7.280 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.514 -5.698 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -21.567 -7.058 2.489 1.00 0.00 H new ATOM 0 HG LEU A 12 -20.800 -7.750 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.743 -5.785 6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.341 -5.860 5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.673 -4.727 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -22.884 -6.734 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -22.986 -5.764 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -23.095 -7.538 4.206 1.00 0.00 H new ATOM 91 N TYR A 13 -17.434 -6.417 3.055 1.00 0.00 N ATOM 92 CA TYR A 13 -16.191 -6.157 3.737 1.00 0.00 C ATOM 93 C TYR A 13 -16.330 -4.995 4.686 1.00 0.00 C ATOM 94 O TYR A 13 -16.527 -3.849 4.278 1.00 0.00 O ATOM 95 CB TYR A 13 -14.986 -6.047 2.776 1.00 0.00 C ATOM 96 CG TYR A 13 -15.149 -5.110 1.593 1.00 0.00 C ATOM 97 CD1 TYR A 13 -15.882 -5.507 0.492 1.00 0.00 C ATOM 98 CD2 TYR A 13 -14.560 -3.849 1.564 1.00 0.00 C ATOM 99 CE1 TYR A 13 -16.037 -4.692 -0.598 1.00 0.00 C ATOM 100 CE2 TYR A 13 -14.713 -3.017 0.464 1.00 0.00 C ATOM 101 CZ TYR A 13 -15.459 -3.449 -0.615 1.00 0.00 C ATOM 102 OH TYR A 13 -15.624 -2.641 -1.726 1.00 0.00 O ATOM 0 H TYR A 13 -17.594 -5.848 2.224 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.961 -7.029 4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.119 -5.723 3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.761 -7.043 2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -16.344 -6.483 0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.976 -3.514 2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -16.615 -5.029 -1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.253 -2.040 0.452 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.156 -1.792 -1.585 1.00 0.00 H new ATOM 112 N PHE A 14 -16.284 -5.318 5.953 1.00 0.00 N ATOM 113 CA PHE A 14 -16.421 -4.350 7.002 1.00 0.00 C ATOM 114 C PHE A 14 -15.138 -4.318 7.813 1.00 0.00 C ATOM 115 O PHE A 14 -14.850 -5.217 8.602 1.00 0.00 O ATOM 116 CB PHE A 14 -17.695 -4.600 7.853 1.00 0.00 C ATOM 117 CG PHE A 14 -17.805 -5.929 8.575 1.00 0.00 C ATOM 118 CD1 PHE A 14 -18.151 -7.085 7.896 1.00 0.00 C ATOM 119 CD2 PHE A 14 -17.587 -6.008 9.944 1.00 0.00 C ATOM 120 CE1 PHE A 14 -18.271 -8.290 8.560 1.00 0.00 C ATOM 121 CE2 PHE A 14 -17.703 -7.210 10.613 1.00 0.00 C ATOM 122 CZ PHE A 14 -18.046 -8.353 9.920 1.00 0.00 C ATOM 0 H PHE A 14 -16.149 -6.273 6.285 1.00 0.00 H new ATOM 0 HA PHE A 14 -16.567 -3.358 6.575 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -17.764 -3.806 8.597 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -18.561 -4.500 7.199 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -18.330 -7.044 6.832 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -17.323 -5.116 10.493 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -18.541 -9.183 8.015 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.526 -7.256 11.677 1.00 0.00 H new ATOM 0 HZ PHE A 14 -18.138 -9.295 10.441 1.00 0.00 H new ATOM 132 N GLN A 15 -14.327 -3.326 7.550 1.00 0.00 N ATOM 133 CA GLN A 15 -13.067 -3.177 8.235 1.00 0.00 C ATOM 134 C GLN A 15 -12.742 -1.709 8.365 1.00 0.00 C ATOM 135 O GLN A 15 -13.077 -0.911 7.479 1.00 0.00 O ATOM 136 CB GLN A 15 -11.916 -3.936 7.536 1.00 0.00 C ATOM 137 CG GLN A 15 -11.471 -3.452 6.148 1.00 0.00 C ATOM 138 CD GLN A 15 -12.524 -3.560 5.060 1.00 0.00 C ATOM 139 OE1 GLN A 15 -12.652 -4.589 4.407 1.00 0.00 O ATOM 140 NE2 GLN A 15 -13.231 -2.478 4.807 1.00 0.00 N ATOM 0 H GLN A 15 -14.519 -2.601 6.858 1.00 0.00 H new ATOM 0 HA GLN A 15 -13.168 -3.622 9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.048 -3.906 8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.211 -4.981 7.446 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.158 -2.411 6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.596 -4.026 5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.098 -1.639 5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.911 -2.479 4.047 1.00 0.00 H new ATOM 149 N GLY A 16 -12.120 -1.355 9.453 1.00 0.00 N ATOM 150 CA GLY A 16 -11.781 0.018 9.701 1.00 0.00 C ATOM 151 C GLY A 16 -10.294 0.162 9.815 1.00 0.00 C ATOM 152 O GLY A 16 -9.674 -0.470 10.672 1.00 0.00 O ATOM 0 H GLY A 16 -11.835 -2.003 10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.155 0.646 8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.260 0.360 10.618 1.00 0.00 H new ATOM 156 N HIS A 17 -9.709 0.950 8.959 1.00 0.00 N ATOM 157 CA HIS A 17 -8.277 1.121 8.960 1.00 0.00 C ATOM 158 C HIS A 17 -7.890 2.572 8.979 1.00 0.00 C ATOM 159 O HIS A 17 -8.372 3.374 8.176 1.00 0.00 O ATOM 160 CB HIS A 17 -7.608 0.416 7.772 1.00 0.00 C ATOM 161 CG HIS A 17 -7.528 -1.071 7.911 1.00 0.00 C ATOM 162 ND1 HIS A 17 -6.412 -1.715 8.366 1.00 0.00 N ATOM 163 CD2 HIS A 17 -8.442 -2.042 7.660 1.00 0.00 C ATOM 164 CE1 HIS A 17 -6.655 -3.013 8.390 1.00 0.00 C ATOM 165 NE2 HIS A 17 -7.881 -3.283 7.969 1.00 0.00 N ATOM 0 H HIS A 17 -10.201 1.489 8.246 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.917 0.654 9.877 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.160 0.656 6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.601 0.813 7.648 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.441 -1.881 7.283 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.944 -3.759 8.712 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.321 -4.200 7.888 1.00 0.00 H new ATOM 173 N MET A 18 -7.052 2.909 9.915 1.00 0.00 N ATOM 174 CA MET A 18 -6.476 4.220 10.011 1.00 0.00 C ATOM 175 C MET A 18 -5.025 4.067 9.622 1.00 0.00 C ATOM 176 O MET A 18 -4.161 3.773 10.446 1.00 0.00 O ATOM 177 CB MET A 18 -6.617 4.766 11.437 1.00 0.00 C ATOM 178 CG MET A 18 -5.987 6.132 11.758 1.00 0.00 C ATOM 179 SD MET A 18 -6.680 7.555 10.867 1.00 0.00 S ATOM 180 CE MET A 18 -5.832 7.508 9.291 1.00 0.00 C ATOM 0 H MET A 18 -6.743 2.269 10.647 1.00 0.00 H new ATOM 0 HA MET A 18 -6.981 4.931 9.357 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.681 4.828 11.666 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.186 4.032 12.118 1.00 0.00 H new ATOM 0 HG2 MET A 18 -6.087 6.314 12.828 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.920 6.078 11.543 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.580 8.523 8.983 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.919 6.920 9.386 1.00 0.00 H new ATOM 0 HE3 MET A 18 -6.480 7.052 8.542 1.00 0.00 H new ATOM 190 N ALA A 19 -4.778 4.193 8.342 1.00 0.00 N ATOM 191 CA ALA A 19 -3.442 4.080 7.826 1.00 0.00 C ATOM 192 C ALA A 19 -2.853 5.464 7.805 1.00 0.00 C ATOM 193 O ALA A 19 -3.118 6.261 6.900 1.00 0.00 O ATOM 194 CB ALA A 19 -3.434 3.437 6.448 1.00 0.00 C ATOM 0 H ALA A 19 -5.492 4.375 7.636 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.840 3.429 8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.408 3.366 6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.867 2.439 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.021 4.045 5.759 1.00 0.00 H new ATOM 200 N ALA A 20 -2.147 5.774 8.855 1.00 0.00 N ATOM 201 CA ALA A 20 -1.544 7.071 9.012 1.00 0.00 C ATOM 202 C ALA A 20 -0.085 6.976 8.617 1.00 0.00 C ATOM 203 O ALA A 20 0.495 5.893 8.745 1.00 0.00 O ATOM 204 CB ALA A 20 -1.680 7.531 10.458 1.00 0.00 C ATOM 0 H ALA A 20 -1.972 5.134 9.630 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.045 7.800 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.222 8.513 10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.736 7.590 10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.180 6.819 11.115 1.00 0.00 H new ATOM 210 N PRO A 21 0.495 8.064 8.072 1.00 0.00 N ATOM 211 CA PRO A 21 1.922 8.132 7.722 1.00 0.00 C ATOM 212 C PRO A 21 2.796 7.621 8.860 1.00 0.00 C ATOM 213 O PRO A 21 2.883 8.250 9.913 1.00 0.00 O ATOM 214 CB PRO A 21 2.132 9.633 7.537 1.00 0.00 C ATOM 215 CG PRO A 21 0.848 10.093 6.967 1.00 0.00 C ATOM 216 CD PRO A 21 -0.204 9.321 7.710 1.00 0.00 C ATOM 0 HA PRO A 21 2.182 7.527 6.853 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.351 10.127 8.483 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.966 9.842 6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.718 11.167 7.101 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.799 9.897 5.896 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.550 9.858 8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.079 9.131 7.089 1.00 0.00 H new ATOM 224 N ALA A 22 3.402 6.468 8.672 1.00 0.00 N ATOM 225 CA ALA A 22 4.173 5.864 9.742 1.00 0.00 C ATOM 226 C ALA A 22 5.599 5.587 9.334 1.00 0.00 C ATOM 227 O ALA A 22 6.334 4.861 9.998 1.00 0.00 O ATOM 228 CB ALA A 22 3.478 4.633 10.261 1.00 0.00 C ATOM 0 H ALA A 22 3.378 5.935 7.803 1.00 0.00 H new ATOM 0 HA ALA A 22 4.232 6.584 10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.070 4.192 11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.494 4.905 10.643 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.367 3.910 9.453 1.00 0.00 H new ATOM 234 N ARG A 23 5.963 6.212 8.249 1.00 0.00 N ATOM 235 CA ARG A 23 7.306 6.213 7.688 1.00 0.00 C ATOM 236 C ARG A 23 7.702 4.837 7.105 1.00 0.00 C ATOM 237 O ARG A 23 8.880 4.518 6.935 1.00 0.00 O ATOM 238 CB ARG A 23 8.302 6.776 8.717 1.00 0.00 C ATOM 239 CG ARG A 23 9.541 7.415 8.118 1.00 0.00 C ATOM 240 CD ARG A 23 10.348 8.126 9.193 1.00 0.00 C ATOM 241 NE ARG A 23 11.427 8.932 8.620 1.00 0.00 N ATOM 242 CZ ARG A 23 12.245 9.737 9.303 1.00 0.00 C ATOM 243 NH1 ARG A 23 12.115 9.881 10.622 1.00 0.00 N ATOM 244 NH2 ARG A 23 13.166 10.428 8.650 1.00 0.00 N ATOM 0 H ARG A 23 5.307 6.765 7.697 1.00 0.00 H new ATOM 0 HA ARG A 23 7.331 6.881 6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.789 7.516 9.331 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.611 5.969 9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.155 6.652 7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.252 8.125 7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.688 8.766 9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.769 7.390 9.878 1.00 0.00 H new ATOM 0 HE ARG A 23 11.566 8.874 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.384 9.373 11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.746 10.499 11.132 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.245 10.342 7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.797 11.046 9.160 1.00 0.00 H new ATOM 258 N SER A 24 6.702 4.061 6.710 1.00 0.00 N ATOM 259 CA SER A 24 6.883 2.767 6.052 1.00 0.00 C ATOM 260 C SER A 24 5.613 2.376 5.302 1.00 0.00 C ATOM 261 O SER A 24 4.526 2.553 5.829 1.00 0.00 O ATOM 262 CB SER A 24 7.242 1.677 7.068 1.00 0.00 C ATOM 263 OG SER A 24 8.516 1.905 7.652 1.00 0.00 O ATOM 0 H SER A 24 5.722 4.315 6.839 1.00 0.00 H new ATOM 0 HA SER A 24 7.706 2.862 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.483 1.644 7.850 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.235 0.704 6.576 1.00 0.00 H new ATOM 0 HG SER A 24 8.846 2.788 7.383 1.00 0.00 H new ATOM 269 N CYS A 25 5.762 1.836 4.105 1.00 0.00 N ATOM 270 CA CYS A 25 4.666 1.394 3.274 1.00 0.00 C ATOM 271 C CYS A 25 4.689 -0.106 3.264 1.00 0.00 C ATOM 272 O CYS A 25 5.742 -0.719 3.133 1.00 0.00 O ATOM 273 CB CYS A 25 4.824 1.902 1.849 1.00 0.00 C ATOM 274 SG CYS A 25 4.705 3.701 1.702 1.00 0.00 S ATOM 0 H CYS A 25 6.676 1.691 3.676 1.00 0.00 H new ATOM 0 HA CYS A 25 3.726 1.779 3.668 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.790 1.578 1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.059 1.444 1.222 1.00 0.00 H new ATOM 279 N VAL A 26 3.556 -0.700 3.454 1.00 0.00 N ATOM 280 CA VAL A 26 3.466 -2.131 3.527 1.00 0.00 C ATOM 281 C VAL A 26 2.683 -2.603 2.348 1.00 0.00 C ATOM 282 O VAL A 26 1.577 -2.126 2.115 1.00 0.00 O ATOM 283 CB VAL A 26 2.756 -2.554 4.805 1.00 0.00 C ATOM 284 CG1 VAL A 26 3.033 -3.977 5.152 1.00 0.00 C ATOM 285 CG2 VAL A 26 3.185 -1.687 5.900 1.00 0.00 C ATOM 0 H VAL A 26 2.666 -0.213 3.563 1.00 0.00 H new ATOM 0 HA VAL A 26 4.466 -2.564 3.528 1.00 0.00 H new ATOM 0 HB VAL A 26 1.682 -2.459 4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.507 -4.237 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.691 -4.622 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.105 -4.114 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.680 -1.985 6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.263 -1.776 6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.932 -0.653 5.666 1.00 0.00 H new ATOM 295 N TYR A 27 3.258 -3.515 1.625 1.00 0.00 N ATOM 296 CA TYR A 27 2.680 -4.002 0.408 1.00 0.00 C ATOM 297 C TYR A 27 1.954 -5.293 0.678 1.00 0.00 C ATOM 298 O TYR A 27 2.488 -6.214 1.315 1.00 0.00 O ATOM 299 CB TYR A 27 3.758 -4.117 -0.680 1.00 0.00 C ATOM 300 CG TYR A 27 4.396 -2.767 -0.962 1.00 0.00 C ATOM 301 CD1 TYR A 27 5.371 -2.256 -0.118 1.00 0.00 C ATOM 302 CD2 TYR A 27 4.002 -1.985 -2.037 1.00 0.00 C ATOM 303 CE1 TYR A 27 5.926 -1.016 -0.326 1.00 0.00 C ATOM 304 CE2 TYR A 27 4.572 -0.739 -2.253 1.00 0.00 C ATOM 305 CZ TYR A 27 5.526 -0.262 -1.394 1.00 0.00 C ATOM 306 OH TYR A 27 6.079 0.981 -1.601 1.00 0.00 O ATOM 0 H TYR A 27 4.150 -3.947 1.865 1.00 0.00 H new ATOM 0 HA TYR A 27 1.940 -3.298 0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.524 -4.826 -0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.316 -4.512 -1.595 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.702 -2.847 0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.243 -2.350 -2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.676 -0.638 0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.263 -0.144 -3.100 1.00 0.00 H new ATOM 0 HH TYR A 27 5.686 1.384 -2.403 1.00 0.00 H new ATOM 316 N TYR A 28 0.724 -5.326 0.248 1.00 0.00 N ATOM 317 CA TYR A 28 -0.151 -6.436 0.457 1.00 0.00 C ATOM 318 C TYR A 28 -0.677 -6.933 -0.862 1.00 0.00 C ATOM 319 O TYR A 28 -0.856 -6.168 -1.798 1.00 0.00 O ATOM 320 CB TYR A 28 -1.360 -6.018 1.295 1.00 0.00 C ATOM 321 CG TYR A 28 -1.096 -5.645 2.733 1.00 0.00 C ATOM 322 CD1 TYR A 28 -1.275 -6.576 3.748 1.00 0.00 C ATOM 323 CD2 TYR A 28 -0.700 -4.366 3.089 1.00 0.00 C ATOM 324 CE1 TYR A 28 -1.074 -6.249 5.068 1.00 0.00 C ATOM 325 CE2 TYR A 28 -0.488 -4.046 4.403 1.00 0.00 C ATOM 326 CZ TYR A 28 -0.677 -4.978 5.384 1.00 0.00 C ATOM 327 OH TYR A 28 -0.492 -4.614 6.694 1.00 0.00 O ATOM 0 H TYR A 28 0.295 -4.560 -0.271 1.00 0.00 H new ATOM 0 HA TYR A 28 0.418 -7.212 0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.835 -5.168 0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.080 -6.836 1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.579 -7.581 3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.558 -3.616 2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.227 -6.984 5.844 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.169 -3.048 4.666 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.970 -3.777 6.872 1.00 0.00 H new ATOM 337 N ASP A 29 -0.892 -8.207 -0.925 1.00 0.00 N ATOM 338 CA ASP A 29 -1.560 -8.834 -2.045 1.00 0.00 C ATOM 339 C ASP A 29 -3.015 -8.853 -1.690 1.00 0.00 C ATOM 340 O ASP A 29 -3.407 -9.550 -0.764 1.00 0.00 O ATOM 341 CB ASP A 29 -1.057 -10.257 -2.185 1.00 0.00 C ATOM 342 CG ASP A 29 -1.836 -11.142 -3.155 1.00 0.00 C ATOM 343 OD1 ASP A 29 -2.812 -11.828 -2.752 1.00 0.00 O ATOM 344 OD2 ASP A 29 -1.441 -11.238 -4.322 1.00 0.00 O ATOM 0 H ASP A 29 -0.609 -8.860 -0.195 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.379 -8.306 -2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.016 -10.225 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.072 -10.727 -1.201 1.00 0.00 H new ATOM 349 N GLY A 30 -3.796 -8.043 -2.324 1.00 0.00 N ATOM 350 CA GLY A 30 -5.180 -8.042 -1.985 1.00 0.00 C ATOM 351 C GLY A 30 -6.009 -7.253 -2.927 1.00 0.00 C ATOM 352 O GLY A 30 -5.661 -6.146 -3.332 1.00 0.00 O ATOM 0 H GLY A 30 -3.513 -7.392 -3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.543 -9.069 -1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.301 -7.640 -0.979 1.00 0.00 H new ATOM 356 N HIS A 31 -7.113 -7.837 -3.259 1.00 0.00 N ATOM 357 CA HIS A 31 -8.082 -7.229 -4.135 1.00 0.00 C ATOM 358 C HIS A 31 -8.976 -6.337 -3.291 1.00 0.00 C ATOM 359 O HIS A 31 -9.400 -5.258 -3.703 1.00 0.00 O ATOM 360 CB HIS A 31 -8.898 -8.309 -4.852 1.00 0.00 C ATOM 361 CG HIS A 31 -8.136 -9.112 -5.876 1.00 0.00 C ATOM 362 ND1 HIS A 31 -8.451 -9.123 -7.213 1.00 0.00 N ATOM 363 CD2 HIS A 31 -7.075 -9.952 -5.745 1.00 0.00 C ATOM 364 CE1 HIS A 31 -7.607 -9.937 -7.842 1.00 0.00 C ATOM 365 NE2 HIS A 31 -6.742 -10.473 -7.000 1.00 0.00 N ATOM 0 H HIS A 31 -7.379 -8.765 -2.929 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.587 -6.634 -4.902 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.303 -8.992 -4.105 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.747 -7.834 -5.344 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -6.569 -10.181 -4.819 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.627 -10.134 -8.904 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -5.991 -11.128 -7.218 1.00 0.00 H new ATOM 373 N LEU A 32 -9.217 -6.781 -2.081 1.00 0.00 N ATOM 374 CA LEU A 32 -10.018 -6.071 -1.116 1.00 0.00 C ATOM 375 C LEU A 32 -9.104 -5.729 0.026 1.00 0.00 C ATOM 376 O LEU A 32 -8.124 -6.443 0.241 1.00 0.00 O ATOM 377 CB LEU A 32 -11.161 -6.951 -0.554 1.00 0.00 C ATOM 378 CG LEU A 32 -12.432 -7.148 -1.386 1.00 0.00 C ATOM 379 CD1 LEU A 32 -12.168 -7.801 -2.733 1.00 0.00 C ATOM 380 CD2 LEU A 32 -13.448 -7.965 -0.605 1.00 0.00 C ATOM 0 H LEU A 32 -8.852 -7.668 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.464 -5.198 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.745 -7.938 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.459 -6.528 0.405 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.829 -6.153 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.108 -7.913 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.488 -7.177 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.719 -8.782 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.347 -8.099 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.024 -8.940 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.703 -7.443 0.317 1.00 0.00 H new ATOM 392 N PRO A 33 -9.398 -4.669 0.795 1.00 0.00 N ATOM 393 CA PRO A 33 -8.610 -4.329 1.986 1.00 0.00 C ATOM 394 C PRO A 33 -8.655 -5.468 3.008 1.00 0.00 C ATOM 395 O PRO A 33 -7.791 -5.582 3.873 1.00 0.00 O ATOM 396 CB PRO A 33 -9.303 -3.077 2.548 1.00 0.00 C ATOM 397 CG PRO A 33 -10.642 -3.038 1.895 1.00 0.00 C ATOM 398 CD PRO A 33 -10.471 -3.681 0.553 1.00 0.00 C ATOM 0 HA PRO A 33 -7.558 -4.162 1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.396 -3.133 3.633 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.730 -2.177 2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.382 -3.572 2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.996 -2.012 1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.390 -4.158 0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.188 -2.955 -0.210 1.00 0.00 H new ATOM 406 N ALA A 34 -9.663 -6.324 2.876 1.00 0.00 N ATOM 407 CA ALA A 34 -9.833 -7.464 3.758 1.00 0.00 C ATOM 408 C ALA A 34 -9.067 -8.701 3.262 1.00 0.00 C ATOM 409 O ALA A 34 -8.598 -9.500 4.065 1.00 0.00 O ATOM 410 CB ALA A 34 -11.312 -7.781 3.921 1.00 0.00 C ATOM 0 H ALA A 34 -10.381 -6.244 2.156 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.413 -7.196 4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.429 -8.638 4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.824 -6.919 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.744 -8.014 2.948 1.00 0.00 H new ATOM 416 N THR A 35 -8.874 -8.831 1.950 1.00 0.00 N ATOM 417 CA THR A 35 -8.244 -10.029 1.386 1.00 0.00 C ATOM 418 C THR A 35 -6.734 -9.856 1.218 1.00 0.00 C ATOM 419 O THR A 35 -6.079 -10.580 0.469 1.00 0.00 O ATOM 420 CB THR A 35 -8.923 -10.449 0.057 1.00 0.00 C ATOM 421 OG1 THR A 35 -8.991 -9.359 -0.885 1.00 0.00 O ATOM 422 CG2 THR A 35 -10.330 -10.947 0.324 1.00 0.00 C ATOM 0 H THR A 35 -9.142 -8.129 1.260 1.00 0.00 H new ATOM 0 HA THR A 35 -8.391 -10.838 2.101 1.00 0.00 H new ATOM 0 HB THR A 35 -8.313 -11.242 -0.375 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.424 -9.665 -1.709 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.797 -11.239 -0.616 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.291 -11.807 0.992 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.915 -10.153 0.788 1.00 0.00 H new ATOM 430 N ARG A 36 -6.218 -8.913 1.977 1.00 0.00 N ATOM 431 CA ARG A 36 -4.821 -8.546 2.022 1.00 0.00 C ATOM 432 C ARG A 36 -3.928 -9.686 2.533 1.00 0.00 C ATOM 433 O ARG A 36 -4.254 -10.356 3.518 1.00 0.00 O ATOM 434 CB ARG A 36 -4.685 -7.367 2.984 1.00 0.00 C ATOM 435 CG ARG A 36 -5.295 -7.658 4.356 1.00 0.00 C ATOM 436 CD ARG A 36 -4.898 -6.637 5.381 1.00 0.00 C ATOM 437 NE ARG A 36 -5.353 -5.286 5.066 1.00 0.00 N ATOM 438 CZ ARG A 36 -4.751 -4.172 5.490 1.00 0.00 C ATOM 439 NH1 ARG A 36 -3.732 -4.249 6.332 1.00 0.00 N ATOM 440 NH2 ARG A 36 -5.172 -2.982 5.103 1.00 0.00 N ATOM 0 H ARG A 36 -6.791 -8.355 2.610 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.499 -8.302 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.630 -7.120 3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.171 -6.492 2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.381 -7.682 4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.980 -8.647 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.302 -6.931 6.350 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.812 -6.633 5.476 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.185 -5.187 4.484 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.407 -5.159 6.657 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.272 -3.398 6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.969 -2.904 4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.701 -2.141 5.436 1.00 0.00 H new ATOM 454 N VAL A 37 -2.831 -9.913 1.845 1.00 0.00 N ATOM 455 CA VAL A 37 -1.807 -10.834 2.288 1.00 0.00 C ATOM 456 C VAL A 37 -0.516 -10.032 2.422 1.00 0.00 C ATOM 457 O VAL A 37 -0.083 -9.387 1.465 1.00 0.00 O ATOM 458 CB VAL A 37 -1.595 -12.012 1.304 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.551 -12.982 1.829 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.900 -12.744 1.018 1.00 0.00 C ATOM 0 H VAL A 37 -2.623 -9.460 0.955 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.112 -11.280 3.235 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.233 -11.588 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.423 -13.798 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.398 -12.461 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.877 -13.384 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.713 -13.564 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.306 -13.141 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.616 -12.051 0.576 1.00 0.00 H new ATOM 470 N LEU A 38 0.038 -10.031 3.617 1.00 0.00 N ATOM 471 CA LEU A 38 1.253 -9.302 3.978 1.00 0.00 C ATOM 472 C LEU A 38 2.447 -9.777 3.143 1.00 0.00 C ATOM 473 O LEU A 38 2.905 -10.911 3.298 1.00 0.00 O ATOM 474 CB LEU A 38 1.491 -9.513 5.496 1.00 0.00 C ATOM 475 CG LEU A 38 2.585 -8.707 6.233 1.00 0.00 C ATOM 476 CD1 LEU A 38 4.009 -9.096 5.847 1.00 0.00 C ATOM 477 CD2 LEU A 38 2.367 -7.225 6.034 1.00 0.00 C ATOM 0 H LEU A 38 -0.355 -10.556 4.399 1.00 0.00 H new ATOM 0 HA LEU A 38 1.139 -8.239 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.546 -9.312 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.714 -10.570 5.644 1.00 0.00 H new ATOM 0 HG LEU A 38 2.485 -8.958 7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.717 -8.486 6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.174 -10.148 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.154 -8.933 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.144 -6.669 6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.408 -6.991 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.391 -6.944 6.430 1.00 0.00 H new ATOM 489 N LEU A 39 2.906 -8.934 2.228 1.00 0.00 N ATOM 490 CA LEU A 39 4.065 -9.260 1.408 1.00 0.00 C ATOM 491 C LEU A 39 5.376 -8.770 2.012 1.00 0.00 C ATOM 492 O LEU A 39 6.272 -9.566 2.316 1.00 0.00 O ATOM 493 CB LEU A 39 3.913 -8.694 -0.007 1.00 0.00 C ATOM 494 CG LEU A 39 2.712 -9.191 -0.803 1.00 0.00 C ATOM 495 CD1 LEU A 39 2.696 -8.556 -2.179 1.00 0.00 C ATOM 496 CD2 LEU A 39 2.750 -10.699 -0.918 1.00 0.00 C ATOM 0 H LEU A 39 2.494 -8.021 2.035 1.00 0.00 H new ATOM 0 HA LEU A 39 4.106 -10.348 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.853 -7.608 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.817 -8.928 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 39 1.800 -8.905 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.833 -8.919 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.633 -7.472 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.610 -8.819 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.887 -11.042 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.665 -11.002 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.725 -11.141 0.078 1.00 0.00 H new ATOM 508 N MET A 40 5.495 -7.459 2.186 1.00 0.00 N ATOM 509 CA MET A 40 6.718 -6.853 2.656 1.00 0.00 C ATOM 510 C MET A 40 6.475 -5.434 3.171 1.00 0.00 C ATOM 511 O MET A 40 5.564 -4.746 2.705 1.00 0.00 O ATOM 512 CB MET A 40 7.689 -6.794 1.475 1.00 0.00 C ATOM 513 CG MET A 40 9.061 -6.325 1.865 1.00 0.00 C ATOM 514 SD MET A 40 10.285 -6.369 0.534 1.00 0.00 S ATOM 515 CE MET A 40 10.277 -8.106 0.081 1.00 0.00 C ATOM 0 H MET A 40 4.743 -6.794 2.003 1.00 0.00 H new ATOM 0 HA MET A 40 7.120 -7.444 3.479 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.764 -7.783 1.024 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.286 -6.126 0.714 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.988 -5.304 2.239 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.419 -6.941 2.690 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.190 -8.344 -0.466 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.224 -8.717 0.982 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.412 -8.314 -0.549 1.00 0.00 H new ATOM 525 N TYR A 41 7.279 -5.028 4.144 1.00 0.00 N ATOM 526 CA TYR A 41 7.294 -3.674 4.684 1.00 0.00 C ATOM 527 C TYR A 41 8.472 -2.942 4.053 1.00 0.00 C ATOM 528 O TYR A 41 9.574 -3.491 4.002 1.00 0.00 O ATOM 529 CB TYR A 41 7.525 -3.682 6.205 1.00 0.00 C ATOM 530 CG TYR A 41 6.444 -4.305 7.061 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.583 -3.512 7.803 1.00 0.00 C ATOM 532 CD2 TYR A 41 6.298 -5.679 7.145 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.605 -4.071 8.602 1.00 0.00 C ATOM 534 CE2 TYR A 41 5.324 -6.244 7.937 1.00 0.00 C ATOM 535 CZ TYR A 41 4.481 -5.437 8.665 1.00 0.00 C ATOM 536 OH TYR A 41 3.504 -6.008 9.458 1.00 0.00 O ATOM 0 H TYR A 41 7.956 -5.646 4.591 1.00 0.00 H new ATOM 0 HA TYR A 41 6.337 -3.198 4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.459 -4.208 6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.664 -2.652 6.532 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.679 -2.437 7.756 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.959 -6.319 6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.942 -3.438 9.173 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.222 -7.318 7.987 1.00 0.00 H new ATOM 0 HH TYR A 41 3.554 -6.984 9.387 1.00 0.00 H new ATOM 546 N VAL A 42 8.249 -1.749 3.555 1.00 0.00 N ATOM 547 CA VAL A 42 9.306 -0.932 2.978 1.00 0.00 C ATOM 548 C VAL A 42 9.302 0.400 3.699 1.00 0.00 C ATOM 549 O VAL A 42 8.260 0.992 3.870 1.00 0.00 O ATOM 550 CB VAL A 42 9.100 -0.691 1.471 1.00 0.00 C ATOM 551 CG1 VAL A 42 10.297 0.020 0.855 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.843 -1.998 0.766 1.00 0.00 C ATOM 0 H VAL A 42 7.328 -1.310 3.535 1.00 0.00 H new ATOM 0 HA VAL A 42 10.256 -1.454 3.095 1.00 0.00 H new ATOM 0 HB VAL A 42 8.231 -0.045 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.120 0.175 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.439 0.984 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.191 -0.589 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.699 -1.815 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.696 -2.662 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.948 -2.464 1.178 1.00 0.00 H new ATOM 562 N ARG A 43 10.440 0.860 4.129 1.00 0.00 N ATOM 563 CA ARG A 43 10.542 2.091 4.876 1.00 0.00 C ATOM 564 C ARG A 43 10.529 3.264 3.884 1.00 0.00 C ATOM 565 O ARG A 43 11.051 3.137 2.784 1.00 0.00 O ATOM 566 CB ARG A 43 11.829 1.986 5.721 1.00 0.00 C ATOM 567 CG ARG A 43 12.056 3.016 6.821 1.00 0.00 C ATOM 568 CD ARG A 43 12.508 4.362 6.310 1.00 0.00 C ATOM 569 NE ARG A 43 12.863 5.257 7.408 1.00 0.00 N ATOM 570 CZ ARG A 43 13.737 6.253 7.309 1.00 0.00 C ATOM 571 NH1 ARG A 43 14.194 6.626 6.114 1.00 0.00 N ATOM 572 NH2 ARG A 43 14.120 6.901 8.398 1.00 0.00 N ATOM 0 H ARG A 43 11.333 0.392 3.973 1.00 0.00 H new ATOM 0 HA ARG A 43 9.708 2.265 5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.845 0.998 6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.679 2.034 5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.131 3.143 7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.802 2.632 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.367 4.233 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.714 4.812 5.714 1.00 0.00 H new ATOM 0 HE ARG A 43 12.410 5.108 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.873 6.147 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.865 7.391 6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.744 6.635 9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.791 7.666 8.327 1.00 0.00 H new ATOM 586 N ILE A 44 9.887 4.366 4.251 1.00 0.00 N ATOM 587 CA ILE A 44 9.823 5.561 3.365 1.00 0.00 C ATOM 588 C ILE A 44 11.241 6.068 3.059 1.00 0.00 C ATOM 589 O ILE A 44 12.041 6.335 3.962 1.00 0.00 O ATOM 590 CB ILE A 44 8.991 6.762 3.922 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.565 6.363 4.302 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.930 7.921 2.917 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.597 6.014 3.199 1.00 0.00 C ATOM 0 H ILE A 44 9.403 4.474 5.142 1.00 0.00 H new ATOM 0 HA ILE A 44 9.308 5.210 2.471 1.00 0.00 H new ATOM 0 HB ILE A 44 9.512 7.086 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.628 5.505 4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.133 7.183 4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.344 8.738 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.940 8.272 2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.463 7.578 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.631 5.754 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.478 6.870 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.981 5.166 2.633 1.00 0.00 H new ATOM 605 N GLY A 45 11.524 6.157 1.787 1.00 0.00 N ATOM 606 CA GLY A 45 12.799 6.610 1.280 1.00 0.00 C ATOM 607 C GLY A 45 13.583 5.445 0.732 1.00 0.00 C ATOM 608 O GLY A 45 14.499 5.607 -0.086 1.00 0.00 O ATOM 0 H GLY A 45 10.860 5.911 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.645 7.354 0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.364 7.096 2.076 1.00 0.00 H new ATOM 612 N ASN A 46 13.165 4.271 1.141 1.00 0.00 N ATOM 613 CA ASN A 46 13.828 3.029 0.833 1.00 0.00 C ATOM 614 C ASN A 46 13.172 2.321 -0.327 1.00 0.00 C ATOM 615 O ASN A 46 12.003 2.557 -0.656 1.00 0.00 O ATOM 616 CB ASN A 46 13.818 2.170 2.088 1.00 0.00 C ATOM 617 CG ASN A 46 14.377 0.766 1.999 1.00 0.00 C ATOM 618 OD1 ASN A 46 13.657 -0.187 1.712 1.00 0.00 O ATOM 619 ND2 ASN A 46 15.637 0.611 2.298 1.00 0.00 N ATOM 0 H ASN A 46 12.330 4.151 1.714 1.00 0.00 H new ATOM 0 HA ASN A 46 14.855 3.225 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.375 2.702 2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.787 2.096 2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.050 -0.322 2.298 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.209 1.422 2.532 1.00 0.00 H new ATOM 626 N THR A 47 13.942 1.483 -0.944 1.00 0.00 N ATOM 627 CA THR A 47 13.505 0.687 -2.054 1.00 0.00 C ATOM 628 C THR A 47 13.547 -0.781 -1.700 1.00 0.00 C ATOM 629 O THR A 47 14.427 -1.222 -0.943 1.00 0.00 O ATOM 630 CB THR A 47 14.371 0.900 -3.292 1.00 0.00 C ATOM 631 OG1 THR A 47 15.767 0.873 -2.935 1.00 0.00 O ATOM 632 CG2 THR A 47 14.041 2.186 -4.017 1.00 0.00 C ATOM 0 H THR A 47 14.916 1.327 -0.686 1.00 0.00 H new ATOM 0 HA THR A 47 12.485 1.001 -2.277 1.00 0.00 H new ATOM 0 HB THR A 47 14.155 0.081 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.313 1.009 -3.738 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.686 2.288 -4.890 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.999 2.166 -4.337 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.200 3.032 -3.348 1.00 0.00 H new ATOM 640 N ALA A 48 12.643 -1.524 -2.277 1.00 0.00 N ATOM 641 CA ALA A 48 12.557 -2.948 -1.998 1.00 0.00 C ATOM 642 C ALA A 48 11.972 -3.745 -3.152 1.00 0.00 C ATOM 643 O ALA A 48 10.975 -3.357 -3.764 1.00 0.00 O ATOM 644 CB ALA A 48 11.767 -3.210 -0.731 1.00 0.00 C ATOM 0 H ALA A 48 11.953 -1.177 -2.943 1.00 0.00 H new ATOM 0 HA ALA A 48 13.583 -3.290 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.719 -4.283 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.256 -2.719 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.757 -2.816 -0.844 1.00 0.00 H new ATOM 650 N THR A 49 12.651 -4.816 -3.461 1.00 0.00 N ATOM 651 CA THR A 49 12.262 -5.785 -4.453 1.00 0.00 C ATOM 652 C THR A 49 11.165 -6.707 -3.891 1.00 0.00 C ATOM 653 O THR A 49 11.424 -7.537 -3.006 1.00 0.00 O ATOM 654 CB THR A 49 13.501 -6.642 -4.735 1.00 0.00 C ATOM 655 OG1 THR A 49 14.663 -5.811 -4.633 1.00 0.00 O ATOM 656 CG2 THR A 49 13.441 -7.232 -6.127 1.00 0.00 C ATOM 0 H THR A 49 13.534 -5.049 -3.006 1.00 0.00 H new ATOM 0 HA THR A 49 11.886 -5.286 -5.347 1.00 0.00 H new ATOM 0 HB THR A 49 13.541 -7.457 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.462 -4.922 -4.994 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.331 -7.836 -6.305 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.553 -7.858 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.396 -6.428 -6.861 1.00 0.00 H new ATOM 664 N ILE A 50 9.959 -6.572 -4.391 1.00 0.00 N ATOM 665 CA ILE A 50 8.848 -7.389 -3.930 1.00 0.00 C ATOM 666 C ILE A 50 8.708 -8.553 -4.877 1.00 0.00 C ATOM 667 O ILE A 50 8.349 -8.358 -6.022 1.00 0.00 O ATOM 668 CB ILE A 50 7.498 -6.626 -4.013 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.582 -5.237 -3.385 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.364 -7.435 -3.377 1.00 0.00 C ATOM 671 CD1 ILE A 50 7.940 -5.242 -1.930 1.00 0.00 C ATOM 0 H ILE A 50 9.716 -5.902 -5.121 1.00 0.00 H new ATOM 0 HA ILE A 50 9.052 -7.679 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 50 7.277 -6.494 -5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.322 -4.649 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.622 -4.735 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.432 -6.875 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.258 -8.386 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.594 -7.621 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.979 -4.217 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.188 -5.800 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.914 -5.713 -1.797 1.00 0.00 H new ATOM 683 N THR A 51 9.019 -9.731 -4.436 1.00 0.00 N ATOM 684 CA THR A 51 8.805 -10.868 -5.280 1.00 0.00 C ATOM 685 C THR A 51 7.456 -11.507 -4.944 1.00 0.00 C ATOM 686 O THR A 51 7.201 -11.904 -3.803 1.00 0.00 O ATOM 687 CB THR A 51 9.962 -11.870 -5.107 1.00 0.00 C ATOM 688 OG1 THR A 51 11.194 -11.245 -5.524 1.00 0.00 O ATOM 689 CG2 THR A 51 9.737 -13.141 -5.908 1.00 0.00 C ATOM 0 H THR A 51 9.414 -9.931 -3.517 1.00 0.00 H new ATOM 0 HA THR A 51 8.784 -10.557 -6.325 1.00 0.00 H new ATOM 0 HB THR A 51 10.014 -12.150 -4.055 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.456 -11.592 -6.402 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.577 -13.820 -5.757 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.817 -13.622 -5.576 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.656 -12.894 -6.967 1.00 0.00 H new ATOM 697 N ALA A 52 6.621 -11.609 -5.954 1.00 0.00 N ATOM 698 CA ALA A 52 5.318 -12.224 -5.869 1.00 0.00 C ATOM 699 C ALA A 52 5.012 -12.795 -7.237 1.00 0.00 C ATOM 700 O ALA A 52 5.190 -12.103 -8.235 1.00 0.00 O ATOM 701 CB ALA A 52 4.268 -11.205 -5.456 1.00 0.00 C ATOM 0 H ALA A 52 6.838 -11.255 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 52 5.307 -13.010 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.293 -11.690 -5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.526 -10.791 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.231 -10.402 -6.192 1.00 0.00 H new ATOM 707 N ARG A 53 4.634 -14.067 -7.290 1.00 0.00 N ATOM 708 CA ARG A 53 4.340 -14.796 -8.546 1.00 0.00 C ATOM 709 C ARG A 53 5.568 -14.957 -9.414 1.00 0.00 C ATOM 710 O ARG A 53 5.487 -15.321 -10.586 1.00 0.00 O ATOM 711 CB ARG A 53 3.220 -14.165 -9.367 1.00 0.00 C ATOM 712 CG ARG A 53 1.862 -14.203 -8.718 1.00 0.00 C ATOM 713 CD ARG A 53 0.812 -13.632 -9.654 1.00 0.00 C ATOM 714 NE ARG A 53 0.795 -14.345 -10.938 1.00 0.00 N ATOM 715 CZ ARG A 53 -0.136 -14.240 -11.886 1.00 0.00 C ATOM 716 NH1 ARG A 53 -1.197 -13.458 -11.715 1.00 0.00 N ATOM 717 NH2 ARG A 53 0.001 -14.932 -13.008 1.00 0.00 N ATOM 0 H ARG A 53 4.517 -14.641 -6.455 1.00 0.00 H new ATOM 0 HA ARG A 53 4.000 -15.779 -8.221 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.480 -13.127 -9.572 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.162 -14.675 -10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.606 -15.230 -8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.880 -13.632 -7.789 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.170 -13.699 -9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.012 -12.574 -9.826 1.00 0.00 H new ATOM 0 HE ARG A 53 1.570 -14.982 -11.122 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.306 -12.929 -10.850 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.902 -13.387 -12.449 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.812 -15.536 -13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.705 -14.860 -13.741 1.00 0.00 H new ATOM 731 N GLY A 54 6.700 -14.762 -8.807 1.00 0.00 N ATOM 732 CA GLY A 54 7.956 -14.808 -9.519 1.00 0.00 C ATOM 733 C GLY A 54 8.270 -13.479 -10.173 1.00 0.00 C ATOM 734 O GLY A 54 9.185 -13.375 -10.995 1.00 0.00 O ATOM 0 H GLY A 54 6.787 -14.567 -7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.757 -15.074 -8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.917 -15.589 -10.279 1.00 0.00 H new ATOM 738 N HIS A 55 7.490 -12.468 -9.844 1.00 0.00 N ATOM 739 CA HIS A 55 7.701 -11.137 -10.370 1.00 0.00 C ATOM 740 C HIS A 55 8.293 -10.287 -9.274 1.00 0.00 C ATOM 741 O HIS A 55 7.773 -10.273 -8.162 1.00 0.00 O ATOM 742 CB HIS A 55 6.378 -10.475 -10.811 1.00 0.00 C ATOM 743 CG HIS A 55 5.659 -11.121 -11.963 1.00 0.00 C ATOM 744 ND1 HIS A 55 5.177 -10.426 -13.050 1.00 0.00 N ATOM 745 CD2 HIS A 55 5.304 -12.413 -12.166 1.00 0.00 C ATOM 746 CE1 HIS A 55 4.565 -11.293 -13.856 1.00 0.00 C ATOM 747 NE2 HIS A 55 4.612 -12.518 -13.363 1.00 0.00 N ATOM 0 H HIS A 55 6.697 -12.547 -9.208 1.00 0.00 H new ATOM 0 HA HIS A 55 8.358 -11.215 -11.236 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.704 -10.456 -9.955 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.586 -9.438 -11.076 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.526 -13.233 -11.499 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.092 -11.029 -14.790 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.221 -13.364 -13.777 1.00 0.00 H new ATOM 755 N GLU A 56 9.397 -9.647 -9.567 1.00 0.00 N ATOM 756 CA GLU A 56 9.983 -8.679 -8.689 1.00 0.00 C ATOM 757 C GLU A 56 9.436 -7.312 -9.030 1.00 0.00 C ATOM 758 O GLU A 56 9.520 -6.877 -10.184 1.00 0.00 O ATOM 759 CB GLU A 56 11.504 -8.626 -8.842 1.00 0.00 C ATOM 760 CG GLU A 56 12.260 -9.802 -8.265 1.00 0.00 C ATOM 761 CD GLU A 56 12.014 -11.115 -8.946 1.00 0.00 C ATOM 762 OE1 GLU A 56 11.561 -12.045 -8.261 1.00 0.00 O ATOM 763 OE2 GLU A 56 12.270 -11.244 -10.163 1.00 0.00 O ATOM 0 H GLU A 56 9.916 -9.789 -10.433 1.00 0.00 H new ATOM 0 HA GLU A 56 9.740 -8.966 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.742 -8.549 -9.903 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.868 -7.715 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.327 -9.583 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.996 -9.902 -7.212 1.00 0.00 H new ATOM 770 N PHE A 57 8.846 -6.659 -8.070 1.00 0.00 N ATOM 771 CA PHE A 57 8.404 -5.313 -8.240 1.00 0.00 C ATOM 772 C PHE A 57 9.379 -4.496 -7.446 1.00 0.00 C ATOM 773 O PHE A 57 9.394 -4.599 -6.224 1.00 0.00 O ATOM 774 CB PHE A 57 7.003 -5.115 -7.661 1.00 0.00 C ATOM 775 CG PHE A 57 5.939 -6.010 -8.225 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.279 -5.673 -9.392 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.585 -7.181 -7.571 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.282 -6.486 -9.894 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.595 -7.997 -8.072 1.00 0.00 C ATOM 780 CZ PHE A 57 3.943 -7.649 -9.233 1.00 0.00 C ATOM 0 H PHE A 57 8.659 -7.050 -7.147 1.00 0.00 H new ATOM 0 HA PHE A 57 8.359 -5.037 -9.294 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.049 -5.269 -6.583 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.705 -4.079 -7.822 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.545 -4.767 -9.915 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.092 -7.456 -6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.768 -6.212 -10.803 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.331 -8.908 -7.555 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.165 -8.287 -9.627 1.00 0.00 H new ATOM 790 N GLU A 58 10.243 -3.764 -8.096 1.00 0.00 N ATOM 791 CA GLU A 58 11.179 -2.974 -7.346 1.00 0.00 C ATOM 792 C GLU A 58 10.438 -1.702 -7.005 1.00 0.00 C ATOM 793 O GLU A 58 10.163 -0.870 -7.878 1.00 0.00 O ATOM 794 CB GLU A 58 12.403 -2.656 -8.191 1.00 0.00 C ATOM 795 CG GLU A 58 13.610 -2.202 -7.393 1.00 0.00 C ATOM 796 CD GLU A 58 14.315 -3.341 -6.726 1.00 0.00 C ATOM 797 OE1 GLU A 58 14.333 -3.401 -5.494 1.00 0.00 O ATOM 798 OE2 GLU A 58 14.882 -4.201 -7.429 1.00 0.00 O ATOM 0 H GLU A 58 10.319 -3.698 -9.111 1.00 0.00 H new ATOM 0 HA GLU A 58 11.531 -3.497 -6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.674 -3.542 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.143 -1.878 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.306 -1.685 -8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.293 -1.482 -6.638 1.00 0.00 H new ATOM 805 N VAL A 59 10.105 -1.551 -5.764 1.00 0.00 N ATOM 806 CA VAL A 59 9.305 -0.430 -5.346 1.00 0.00 C ATOM 807 C VAL A 59 10.160 0.550 -4.603 1.00 0.00 C ATOM 808 O VAL A 59 11.271 0.225 -4.162 1.00 0.00 O ATOM 809 CB VAL A 59 8.129 -0.833 -4.404 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.303 -1.989 -4.929 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.616 -1.134 -3.014 1.00 0.00 C ATOM 0 H VAL A 59 10.372 -2.189 -5.014 1.00 0.00 H new ATOM 0 HA VAL A 59 8.886 0.000 -6.256 1.00 0.00 H new ATOM 0 HB VAL A 59 7.472 0.036 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.504 -2.215 -4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.871 -1.719 -5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.939 -2.866 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.771 -1.411 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.328 -1.958 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.103 -0.251 -2.600 1.00 0.00 H new ATOM 821 N GLU A 60 9.644 1.727 -4.485 1.00 0.00 N ATOM 822 CA GLU A 60 10.219 2.720 -3.644 1.00 0.00 C ATOM 823 C GLU A 60 9.094 3.242 -2.798 1.00 0.00 C ATOM 824 O GLU A 60 8.118 3.784 -3.338 1.00 0.00 O ATOM 825 CB GLU A 60 10.867 3.870 -4.422 1.00 0.00 C ATOM 826 CG GLU A 60 11.474 4.928 -3.513 1.00 0.00 C ATOM 827 CD GLU A 60 12.166 6.032 -4.267 1.00 0.00 C ATOM 828 OE1 GLU A 60 11.503 6.764 -5.031 1.00 0.00 O ATOM 829 OE2 GLU A 60 13.388 6.215 -4.086 1.00 0.00 O ATOM 0 H GLU A 60 8.802 2.029 -4.975 1.00 0.00 H new ATOM 0 HA GLU A 60 11.023 2.279 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.643 3.469 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.119 4.335 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.688 5.358 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.188 4.453 -2.840 1.00 0.00 H new ATOM 836 N ALA A 61 9.176 3.034 -1.504 1.00 0.00 N ATOM 837 CA ALA A 61 8.190 3.626 -0.630 1.00 0.00 C ATOM 838 C ALA A 61 8.593 5.075 -0.507 1.00 0.00 C ATOM 839 O ALA A 61 9.381 5.446 0.332 1.00 0.00 O ATOM 840 CB ALA A 61 8.156 2.945 0.728 1.00 0.00 C ATOM 0 H ALA A 61 9.894 2.475 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 61 7.183 3.515 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.401 3.420 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.910 1.891 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.132 3.035 1.205 1.00 0.00 H new ATOM 846 N LYS A 62 8.102 5.867 -1.407 1.00 0.00 N ATOM 847 CA LYS A 62 8.533 7.233 -1.541 1.00 0.00 C ATOM 848 C LYS A 62 7.664 8.249 -0.838 1.00 0.00 C ATOM 849 O LYS A 62 8.140 9.324 -0.491 1.00 0.00 O ATOM 850 CB LYS A 62 8.785 7.551 -3.017 1.00 0.00 C ATOM 851 CG LYS A 62 7.618 7.250 -3.946 1.00 0.00 C ATOM 852 CD LYS A 62 8.025 7.095 -5.421 1.00 0.00 C ATOM 853 CE LYS A 62 8.579 8.346 -6.115 1.00 0.00 C ATOM 854 NZ LYS A 62 9.886 8.807 -5.604 1.00 0.00 N ATOM 0 H LYS A 62 7.385 5.587 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 62 9.476 7.325 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.040 8.607 -3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.653 6.984 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.129 6.334 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.884 8.051 -3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.776 6.308 -5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.155 6.752 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.673 8.142 -7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.856 9.155 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.448 9.196 -6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.737 9.544 -4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.394 8.006 -5.178 1.00 0.00 H new ATOM 868 N ASP A 63 6.412 7.925 -0.616 1.00 0.00 N ATOM 869 CA ASP A 63 5.504 8.865 -0.026 1.00 0.00 C ATOM 870 C ASP A 63 4.631 8.129 0.958 1.00 0.00 C ATOM 871 O ASP A 63 4.237 6.996 0.692 1.00 0.00 O ATOM 872 CB ASP A 63 4.654 9.522 -1.113 1.00 0.00 C ATOM 873 CG ASP A 63 3.675 10.514 -0.555 1.00 0.00 C ATOM 874 OD1 ASP A 63 2.480 10.193 -0.470 1.00 0.00 O ATOM 875 OD2 ASP A 63 4.078 11.628 -0.171 1.00 0.00 O ATOM 0 H ASP A 63 6.004 7.017 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 63 6.056 9.650 0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.307 10.023 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.113 8.751 -1.662 1.00 0.00 H new ATOM 880 N GLN A 64 4.309 8.787 2.057 1.00 0.00 N ATOM 881 CA GLN A 64 3.540 8.224 3.173 1.00 0.00 C ATOM 882 C GLN A 64 2.120 7.832 2.807 1.00 0.00 C ATOM 883 O GLN A 64 1.426 7.216 3.610 1.00 0.00 O ATOM 884 CB GLN A 64 3.434 9.254 4.262 1.00 0.00 C ATOM 885 CG GLN A 64 4.752 9.658 4.900 1.00 0.00 C ATOM 886 CD GLN A 64 5.187 8.719 6.006 1.00 0.00 C ATOM 887 OE1 GLN A 64 4.882 7.526 6.012 1.00 0.00 O ATOM 888 NE2 GLN A 64 5.893 9.253 6.974 1.00 0.00 N ATOM 0 H GLN A 64 4.580 9.758 2.211 1.00 0.00 H new ATOM 0 HA GLN A 64 4.074 7.325 3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.959 10.145 3.852 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.774 8.870 5.040 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.526 9.690 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.660 10.667 5.303 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.132 10.244 6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.203 8.677 7.757 1.00 0.00 H new ATOM 897 N ASN A 65 1.670 8.199 1.620 1.00 0.00 N ATOM 898 CA ASN A 65 0.321 7.843 1.221 1.00 0.00 C ATOM 899 C ASN A 65 0.327 6.446 0.655 1.00 0.00 C ATOM 900 O ASN A 65 -0.715 5.857 0.378 1.00 0.00 O ATOM 901 CB ASN A 65 -0.285 8.863 0.264 1.00 0.00 C ATOM 902 CG ASN A 65 -0.561 10.194 0.945 1.00 0.00 C ATOM 903 OD1 ASN A 65 -1.645 10.419 1.479 1.00 0.00 O ATOM 904 ND2 ASN A 65 0.406 11.082 0.940 1.00 0.00 N ATOM 0 H ASN A 65 2.203 8.730 0.931 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.325 7.858 2.099 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.393 9.019 -0.575 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.214 8.467 -0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.269 11.988 1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.295 10.866 0.488 1.00 0.00 H new ATOM 911 N CYS A 66 1.537 5.946 0.491 1.00 0.00 N ATOM 912 CA CYS A 66 1.823 4.588 0.124 1.00 0.00 C ATOM 913 C CYS A 66 1.162 4.060 -1.121 1.00 0.00 C ATOM 914 O CYS A 66 0.356 3.136 -1.080 1.00 0.00 O ATOM 915 CB CYS A 66 1.730 3.649 1.310 1.00 0.00 C ATOM 916 SG CYS A 66 2.934 4.089 2.601 1.00 0.00 S ATOM 0 H CYS A 66 2.379 6.507 0.618 1.00 0.00 H new ATOM 0 HA CYS A 66 2.866 4.624 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.722 3.682 1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.906 2.625 0.980 1.00 0.00 H new ATOM 921 N LYS A 67 1.376 4.745 -2.215 1.00 0.00 N ATOM 922 CA LYS A 67 1.008 4.172 -3.471 1.00 0.00 C ATOM 923 C LYS A 67 2.059 3.194 -3.829 1.00 0.00 C ATOM 924 O LYS A 67 3.208 3.288 -3.373 1.00 0.00 O ATOM 925 CB LYS A 67 0.874 5.180 -4.599 1.00 0.00 C ATOM 926 CG LYS A 67 -0.384 5.963 -4.609 1.00 0.00 C ATOM 927 CD LYS A 67 -0.469 6.741 -3.334 1.00 0.00 C ATOM 928 CE LYS A 67 -1.643 7.641 -3.349 1.00 0.00 C ATOM 929 NZ LYS A 67 -2.914 6.907 -3.506 1.00 0.00 N ATOM 0 H LYS A 67 1.792 5.675 -2.258 1.00 0.00 H new ATOM 0 HA LYS A 67 0.023 3.720 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.713 5.874 -4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.960 4.651 -5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.404 6.637 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.243 5.299 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.540 6.057 -2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.441 7.325 -3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.670 8.214 -2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.538 8.357 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.711 7.546 -3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.990 6.549 -4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.938 6.108 -2.841 1.00 0.00 H new ATOM 943 N VAL A 68 1.684 2.263 -4.613 1.00 0.00 N ATOM 944 CA VAL A 68 2.670 1.330 -5.066 1.00 0.00 C ATOM 945 C VAL A 68 3.306 1.914 -6.301 1.00 0.00 C ATOM 946 O VAL A 68 2.755 1.899 -7.397 1.00 0.00 O ATOM 947 CB VAL A 68 2.185 -0.134 -5.241 1.00 0.00 C ATOM 948 CG1 VAL A 68 0.966 -0.245 -6.142 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.328 -0.998 -5.765 1.00 0.00 C ATOM 0 H VAL A 68 0.734 2.116 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 68 3.412 1.207 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 68 1.876 -0.496 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.671 -1.291 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.144 0.330 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.207 0.147 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.982 -2.025 -5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.664 -0.612 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.156 -0.975 -5.056 1.00 0.00 H new ATOM 959 N ILE A 69 4.446 2.499 -6.088 1.00 0.00 N ATOM 960 CA ILE A 69 5.149 3.158 -7.136 1.00 0.00 C ATOM 961 C ILE A 69 6.452 2.464 -7.261 1.00 0.00 C ATOM 962 O ILE A 69 7.198 2.310 -6.282 1.00 0.00 O ATOM 963 CB ILE A 69 5.337 4.668 -6.865 1.00 0.00 C ATOM 964 CG1 ILE A 69 3.958 5.313 -6.717 1.00 0.00 C ATOM 965 CG2 ILE A 69 6.105 5.322 -8.016 1.00 0.00 C ATOM 966 CD1 ILE A 69 3.965 6.747 -6.239 1.00 0.00 C ATOM 0 H ILE A 69 4.911 2.530 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 69 4.580 3.107 -8.064 1.00 0.00 H new ATOM 0 HB ILE A 69 5.912 4.809 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.450 5.271 -7.680 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.369 4.717 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.230 6.385 -7.812 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.084 4.853 -8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.548 5.194 -8.944 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.940 7.112 -6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.439 6.802 -5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.521 7.363 -6.946 1.00 0.00 H new ATOM 978 N LEU A 70 6.695 1.991 -8.434 1.00 0.00 N ATOM 979 CA LEU A 70 7.864 1.260 -8.671 1.00 0.00 C ATOM 980 C LEU A 70 8.959 2.203 -8.937 1.00 0.00 C ATOM 981 O LEU A 70 8.770 3.270 -9.511 1.00 0.00 O ATOM 982 CB LEU A 70 7.721 0.237 -9.781 1.00 0.00 C ATOM 983 CG LEU A 70 6.666 -0.841 -9.562 1.00 0.00 C ATOM 984 CD1 LEU A 70 6.752 -1.454 -8.196 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.289 -0.327 -9.845 1.00 0.00 C ATOM 0 H LEU A 70 6.085 2.106 -9.244 1.00 0.00 H new ATOM 0 HA LEU A 70 8.085 0.673 -7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.487 0.764 -10.706 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.685 -0.250 -9.926 1.00 0.00 H new ATOM 0 HG LEU A 70 6.877 -1.636 -10.278 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.980 -2.216 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.733 -1.911 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.606 -0.682 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.562 -1.122 -9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.070 0.510 -9.182 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.231 0.006 -10.881 1.00 0.00 H new ATOM 997 N THR A 71 10.092 1.809 -8.518 1.00 0.00 N ATOM 998 CA THR A 71 11.236 2.689 -8.634 1.00 0.00 C ATOM 999 C THR A 71 11.856 2.591 -10.039 1.00 0.00 C ATOM 1000 O THR A 71 12.676 3.415 -10.442 1.00 0.00 O ATOM 1001 CB THR A 71 12.274 2.421 -7.511 1.00 0.00 C ATOM 1002 OG1 THR A 71 13.211 3.500 -7.406 1.00 0.00 O ATOM 1003 CG2 THR A 71 13.040 1.136 -7.754 1.00 0.00 C ATOM 0 H THR A 71 10.278 0.900 -8.093 1.00 0.00 H new ATOM 0 HA THR A 71 10.894 3.715 -8.501 1.00 0.00 H new ATOM 0 HB THR A 71 11.711 2.332 -6.582 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.475 3.793 -8.303 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.757 0.982 -6.948 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.344 0.298 -7.786 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.571 1.203 -8.704 1.00 0.00 H new ATOM 1011 N ASN A 72 11.414 1.609 -10.799 1.00 0.00 N ATOM 1012 CA ASN A 72 12.010 1.331 -12.090 1.00 0.00 C ATOM 1013 C ASN A 72 11.183 1.821 -13.270 1.00 0.00 C ATOM 1014 O ASN A 72 11.674 1.865 -14.397 1.00 0.00 O ATOM 1015 CB ASN A 72 12.325 -0.149 -12.212 1.00 0.00 C ATOM 1016 CG ASN A 72 11.116 -1.055 -12.188 1.00 0.00 C ATOM 1017 OD1 ASN A 72 10.072 -0.721 -11.618 1.00 0.00 O ATOM 1018 ND2 ASN A 72 11.250 -2.211 -12.787 1.00 0.00 N ATOM 0 H ASN A 72 10.644 0.990 -10.545 1.00 0.00 H new ATOM 0 HA ASN A 72 12.937 1.903 -12.134 1.00 0.00 H new ATOM 0 HB2 ASN A 72 12.869 -0.316 -13.142 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.992 -0.433 -11.398 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.475 -2.874 -12.794 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.129 -2.448 -13.246 1.00 0.00 H new ATOM 1025 N GLY A 73 9.934 2.156 -13.033 1.00 0.00 N ATOM 1026 CA GLY A 73 9.135 2.719 -14.108 1.00 0.00 C ATOM 1027 C GLY A 73 7.965 1.846 -14.477 1.00 0.00 C ATOM 1028 O GLY A 73 7.241 2.124 -15.432 1.00 0.00 O ATOM 0 H GLY A 73 9.458 2.055 -12.137 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.770 3.702 -13.809 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.765 2.866 -14.985 1.00 0.00 H new ATOM 1032 N LYS A 74 7.800 0.777 -13.736 1.00 0.00 N ATOM 1033 CA LYS A 74 6.683 -0.129 -13.906 1.00 0.00 C ATOM 1034 C LYS A 74 5.420 0.464 -13.328 1.00 0.00 C ATOM 1035 O LYS A 74 5.445 1.468 -12.616 1.00 0.00 O ATOM 1036 CB LYS A 74 6.976 -1.384 -13.104 1.00 0.00 C ATOM 1037 CG LYS A 74 8.101 -2.237 -13.620 1.00 0.00 C ATOM 1038 CD LYS A 74 7.619 -3.193 -14.684 1.00 0.00 C ATOM 1039 CE LYS A 74 8.721 -4.127 -15.127 1.00 0.00 C ATOM 1040 NZ LYS A 74 8.234 -5.098 -16.120 1.00 0.00 N ATOM 0 H LYS A 74 8.441 0.506 -12.991 1.00 0.00 H new ATOM 0 HA LYS A 74 6.551 -0.327 -14.970 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.205 -1.093 -12.079 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.071 -1.990 -13.068 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.886 -1.600 -14.028 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.542 -2.798 -12.796 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.780 -3.774 -14.300 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.251 -2.630 -15.542 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.541 -3.549 -15.553 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.120 -4.657 -14.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.014 -5.725 -16.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.468 -5.665 -15.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.876 -4.591 -16.954 1.00 0.00 H new ATOM 1054 N GLN A 75 4.333 -0.158 -13.664 1.00 0.00 N ATOM 1055 CA GLN A 75 3.060 0.091 -13.047 1.00 0.00 C ATOM 1056 C GLN A 75 2.679 -1.220 -12.390 1.00 0.00 C ATOM 1057 O GLN A 75 2.686 -2.260 -13.052 1.00 0.00 O ATOM 1058 CB GLN A 75 1.984 0.451 -14.060 1.00 0.00 C ATOM 1059 CG GLN A 75 0.685 0.870 -13.373 1.00 0.00 C ATOM 1060 CD GLN A 75 -0.497 1.026 -14.304 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -0.760 2.108 -14.847 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -1.239 -0.041 -14.485 1.00 0.00 N ATOM 0 H GLN A 75 4.302 -0.871 -14.393 1.00 0.00 H new ATOM 0 HA GLN A 75 3.136 0.930 -12.355 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.338 1.262 -14.696 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.794 -0.403 -14.710 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.437 0.130 -12.612 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.851 1.815 -12.856 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.994 -0.917 -14.023 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.060 0.005 -15.088 1.00 0.00 H new ATOM 1071 N ALA A 76 2.377 -1.198 -11.121 1.00 0.00 N ATOM 1072 CA ALA A 76 2.033 -2.422 -10.441 1.00 0.00 C ATOM 1073 C ALA A 76 0.540 -2.684 -10.585 1.00 0.00 C ATOM 1074 O ALA A 76 -0.241 -1.741 -10.722 1.00 0.00 O ATOM 1075 CB ALA A 76 2.450 -2.388 -8.976 1.00 0.00 C ATOM 0 H ALA A 76 2.361 -0.359 -10.541 1.00 0.00 H new ATOM 0 HA ALA A 76 2.582 -3.242 -10.905 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.174 -3.328 -8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.529 -2.249 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.946 -1.563 -8.473 1.00 0.00 H new ATOM 1081 N PRO A 77 0.133 -3.961 -10.589 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.271 -4.344 -10.718 1.00 0.00 C ATOM 1083 C PRO A 77 -2.120 -3.914 -9.528 1.00 0.00 C ATOM 1084 O PRO A 77 -1.619 -3.696 -8.419 1.00 0.00 O ATOM 1085 CB PRO A 77 -1.228 -5.863 -10.780 1.00 0.00 C ATOM 1086 CG PRO A 77 0.178 -6.220 -11.082 1.00 0.00 C ATOM 1087 CD PRO A 77 1.006 -5.141 -10.481 1.00 0.00 C ATOM 0 HA PRO A 77 -1.724 -3.867 -11.587 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.547 -6.301 -9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.901 -6.241 -11.550 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.435 -7.191 -10.660 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.343 -6.287 -12.157 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.265 -5.359 -9.445 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.943 -5.002 -11.021 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.413 -3.852 -9.774 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.441 -3.449 -8.812 1.00 0.00 C ATOM 1097 C ASP A 78 -4.477 -4.336 -7.565 1.00 0.00 C ATOM 1098 O ASP A 78 -4.899 -3.908 -6.496 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.798 -3.441 -9.522 1.00 0.00 C ATOM 1100 CG ASP A 78 -6.980 -3.199 -8.611 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -7.867 -4.084 -8.521 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -7.072 -2.138 -7.974 1.00 0.00 O ATOM 0 H ASP A 78 -3.802 -4.090 -10.687 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.197 -2.450 -8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.786 -2.671 -10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.935 -4.397 -10.028 1.00 0.00 H new ATOM 1107 N TRP A 79 -3.998 -5.565 -7.686 1.00 0.00 N ATOM 1108 CA TRP A 79 -3.981 -6.472 -6.548 1.00 0.00 C ATOM 1109 C TRP A 79 -2.846 -6.135 -5.578 1.00 0.00 C ATOM 1110 O TRP A 79 -2.830 -6.595 -4.448 1.00 0.00 O ATOM 1111 CB TRP A 79 -3.904 -7.939 -7.004 1.00 0.00 C ATOM 1112 CG TRP A 79 -2.699 -8.322 -7.808 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -2.644 -8.395 -9.154 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.389 -8.697 -7.329 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -1.399 -8.800 -9.561 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -0.607 -8.982 -8.461 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -0.799 -8.816 -6.061 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 0.724 -9.380 -8.372 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.521 -9.210 -5.979 1.00 0.00 C ATOM 1120 CH2 TRP A 79 1.269 -9.485 -7.126 1.00 0.00 C ATOM 0 H TRP A 79 -3.620 -5.954 -8.550 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.921 -6.339 -6.012 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -3.941 -8.575 -6.119 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -4.793 -8.161 -7.594 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.465 -8.167 -9.817 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.110 -8.943 -10.529 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.367 -8.603 -5.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.304 -9.598 -9.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 0.985 -9.308 -5.009 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.301 -9.787 -7.024 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.898 -5.342 -6.021 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.783 -4.984 -5.192 1.00 0.00 C ATOM 1133 C LEU A 80 -1.138 -3.709 -4.432 1.00 0.00 C ATOM 1134 O LEU A 80 -1.217 -2.626 -5.015 1.00 0.00 O ATOM 1135 CB LEU A 80 0.468 -4.821 -6.067 1.00 0.00 C ATOM 1136 CG LEU A 80 1.797 -4.669 -5.333 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.038 -5.866 -4.464 1.00 0.00 C ATOM 1138 CD2 LEU A 80 2.958 -4.555 -6.297 1.00 0.00 C ATOM 0 H LEU A 80 -1.882 -4.934 -6.956 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.564 -5.762 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.539 -5.687 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.328 -3.947 -6.703 1.00 0.00 H new ATOM 0 HG LEU A 80 1.734 -3.758 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.988 -5.752 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.232 -5.955 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.069 -6.764 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.887 -4.448 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.008 -5.452 -6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.817 -3.683 -6.935 1.00 0.00 H new ATOM 1150 N ALA A 81 -1.409 -3.860 -3.156 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.811 -2.754 -2.297 1.00 0.00 C ATOM 1152 C ALA A 81 -0.669 -2.309 -1.430 1.00 0.00 C ATOM 1153 O ALA A 81 0.331 -3.009 -1.280 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.952 -3.157 -1.378 1.00 0.00 C ATOM 0 H ALA A 81 -1.358 -4.758 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.128 -1.945 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.229 -2.311 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.811 -3.462 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.636 -3.988 -0.748 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.850 -1.153 -0.845 1.00 0.00 N ATOM 1161 CA ALA A 82 0.099 -0.587 0.088 1.00 0.00 C ATOM 1162 C ALA A 82 -0.606 0.354 1.063 1.00 0.00 C ATOM 1163 O ALA A 82 -1.496 1.106 0.663 1.00 0.00 O ATOM 1164 CB ALA A 82 1.227 0.130 -0.643 1.00 0.00 C ATOM 0 H ALA A 82 -1.670 -0.568 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 82 0.542 -1.403 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.925 0.545 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.751 -0.577 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.813 0.935 -1.250 1.00 0.00 H new ATOM 1170 N GLU A 83 -0.246 0.260 2.331 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.741 1.123 3.393 1.00 0.00 C ATOM 1172 C GLU A 83 0.464 1.462 4.265 1.00 0.00 C ATOM 1173 O GLU A 83 1.352 0.616 4.382 1.00 0.00 O ATOM 1174 CB GLU A 83 -1.814 0.398 4.252 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.354 -0.902 4.893 1.00 0.00 C ATOM 1176 CD GLU A 83 -2.294 -1.449 5.962 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -1.849 -2.250 6.831 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -3.495 -1.127 5.970 1.00 0.00 O ATOM 0 H GLU A 83 0.419 -0.439 2.662 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.209 2.014 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.146 1.076 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.680 0.189 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.235 -1.654 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.371 -0.745 5.338 1.00 0.00 H new ATOM 1185 N PRO A 84 0.613 2.686 4.789 1.00 0.00 N ATOM 1186 CA PRO A 84 1.669 2.965 5.749 1.00 0.00 C ATOM 1187 C PRO A 84 1.376 2.219 7.056 1.00 0.00 C ATOM 1188 O PRO A 84 0.321 2.412 7.669 1.00 0.00 O ATOM 1189 CB PRO A 84 1.636 4.492 5.873 1.00 0.00 C ATOM 1190 CG PRO A 84 0.222 4.829 5.583 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.127 3.921 4.451 1.00 0.00 C ATOM 0 HA PRO A 84 2.664 2.628 5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.931 4.821 6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.316 4.967 5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.418 4.656 6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.108 5.877 5.307 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.201 3.746 4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.186 4.331 3.491 1.00 0.00 H new ATOM 1199 N TYR A 85 2.312 1.345 7.412 1.00 0.00 N ATOM 1200 CA TYR A 85 2.214 0.375 8.501 1.00 0.00 C ATOM 1201 C TYR A 85 1.609 0.890 9.798 1.00 0.00 C ATOM 1202 O TYR A 85 0.589 0.325 10.248 1.00 0.00 O ATOM 1203 CB TYR A 85 3.536 -0.404 8.668 1.00 0.00 C ATOM 1204 CG TYR A 85 4.643 0.091 9.572 1.00 0.00 C ATOM 1205 CD1 TYR A 85 5.056 1.410 9.602 1.00 0.00 C ATOM 1206 CD2 TYR A 85 5.328 -0.826 10.355 1.00 0.00 C ATOM 1207 CE1 TYR A 85 6.121 1.796 10.391 1.00 0.00 C ATOM 1208 CE2 TYR A 85 6.379 -0.447 11.148 1.00 0.00 C ATOM 1209 CZ TYR A 85 6.775 0.863 11.162 1.00 0.00 C ATOM 1210 OH TYR A 85 7.855 1.235 11.927 1.00 0.00 O ATOM 1211 OXT TYR A 85 2.076 1.885 10.348 1.00 0.00 O ATOM 0 H TYR A 85 3.206 1.290 6.924 1.00 0.00 H new ATOM 0 HA TYR A 85 1.455 -0.343 8.189 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.272 -1.404 9.011 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.966 -0.512 7.672 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.540 2.146 9.002 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.026 -1.863 10.339 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.440 2.828 10.403 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.891 -1.177 11.758 1.00 0.00 H new ATOM 0 HH TYR A 85 8.198 0.454 12.410 1.00 0.00 H new TER 1221 TYR A 85