USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 696 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 44 THR OG1 : rot 45:sc= 0.103 USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0.1 USER MOD Single : A 3 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.058) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 30:sc= -0.363 USER MOD Single : A 7 THR OG1 : rot 79:sc=-0.00163 USER MOD Single : A 9 ASN : amide:sc= -0.89 K(o=-0.89,f=-2.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0134) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -176:sc= -1.6! USER MOD Single : A 41 ASN : amide:sc= 0.401 X(o=0.4,f=-0.081) USER MOD Single : A 54 SER OG : rot 98:sc= 1.02 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.116 USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.4!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0311 K(o=-0.031,f=-0.95) USER MOD Single : A 80 GLN : amide:sc= -2.1 X(o=-2.1,f=-2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 89 SER OG : rot -90:sc= 0.751 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.338 F(o=-2.7!,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.633 5.548 -15.533 1.00 0.00 N ATOM 32 CA GLN A 3 -5.973 4.361 -14.693 1.00 0.00 C ATOM 33 C GLN A 3 -6.307 4.801 -13.259 1.00 0.00 C ATOM 34 O GLN A 3 -5.890 4.173 -12.304 1.00 0.00 O ATOM 35 CB GLN A 3 -4.713 3.492 -14.706 1.00 0.00 C ATOM 36 CG GLN A 3 -4.554 2.846 -16.084 1.00 0.00 C ATOM 37 CD GLN A 3 -5.565 1.702 -16.233 1.00 0.00 C ATOM 38 OE1 GLN A 3 -5.334 0.612 -15.751 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.686 1.903 -16.883 1.00 0.00 N ATOM 0 HA GLN A 3 -6.843 3.825 -15.071 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.838 4.098 -14.473 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.781 2.722 -13.937 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.712 3.589 -16.866 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.539 2.467 -16.205 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.883 2.818 -17.289 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.361 1.145 -16.982 1.00 0.00 H new ATOM 48 N GLU A 4 -7.058 5.874 -13.096 1.00 0.00 N ATOM 49 CA GLU A 4 -7.408 6.331 -11.702 1.00 0.00 C ATOM 50 C GLU A 4 -8.298 5.286 -11.015 1.00 0.00 C ATOM 51 O GLU A 4 -8.146 5.026 -9.836 1.00 0.00 O ATOM 52 CB GLU A 4 -8.163 7.662 -11.845 1.00 0.00 C ATOM 53 CG GLU A 4 -8.344 8.298 -10.464 1.00 0.00 C ATOM 54 CD GLU A 4 -9.439 9.364 -10.532 1.00 0.00 C ATOM 55 OE1 GLU A 4 -9.126 10.482 -10.908 1.00 0.00 O ATOM 56 OE2 GLU A 4 -10.571 9.046 -10.207 1.00 0.00 O ATOM 0 H GLU A 4 -7.438 6.444 -13.852 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.512 6.457 -11.094 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.610 8.337 -12.498 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.135 7.493 -12.309 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.610 7.535 -9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.407 8.745 -10.132 1.00 0.00 H new ATOM 63 N GLN A 5 -9.221 4.673 -11.735 1.00 0.00 N ATOM 64 CA GLN A 5 -10.103 3.632 -11.084 1.00 0.00 C ATOM 65 C GLN A 5 -9.231 2.550 -10.421 1.00 0.00 C ATOM 66 O GLN A 5 -9.537 2.085 -9.339 1.00 0.00 O ATOM 67 CB GLN A 5 -10.997 3.027 -12.190 1.00 0.00 C ATOM 68 CG GLN A 5 -10.144 2.297 -13.235 1.00 0.00 C ATOM 69 CD GLN A 5 -10.990 2.024 -14.485 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.051 2.847 -15.376 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.653 0.898 -14.593 1.00 0.00 N ATOM 0 H GLN A 5 -9.401 4.843 -12.725 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.725 4.073 -10.305 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.712 2.334 -11.748 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.574 3.817 -12.671 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.274 2.900 -13.496 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.770 1.359 -12.824 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.605 0.204 -13.847 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.217 0.716 -15.423 1.00 0.00 H new ATOM 80 N TYR A 6 -8.125 2.182 -11.035 1.00 0.00 N ATOM 81 CA TYR A 6 -7.221 1.170 -10.391 1.00 0.00 C ATOM 82 C TYR A 6 -6.482 1.855 -9.234 1.00 0.00 C ATOM 83 O TYR A 6 -6.304 1.282 -8.176 1.00 0.00 O ATOM 84 CB TYR A 6 -6.221 0.712 -11.465 1.00 0.00 C ATOM 85 CG TYR A 6 -6.845 -0.364 -12.320 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.727 -0.017 -13.349 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.539 -1.711 -12.084 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.303 -1.014 -14.144 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.115 -2.708 -12.879 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.997 -2.361 -13.909 1.00 0.00 C ATOM 91 OH TYR A 6 -8.564 -3.345 -14.693 1.00 0.00 O ATOM 0 H TYR A 6 -7.814 2.533 -11.941 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.773 0.314 -10.002 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.928 1.558 -12.086 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.314 0.334 -10.993 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.963 1.021 -13.530 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.859 -1.979 -11.289 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.983 -0.745 -14.939 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.879 -3.746 -12.698 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.736 -2.990 -15.590 1.00 0.00 H new ATOM 101 N THR A 7 -6.059 3.091 -9.427 1.00 0.00 N ATOM 102 CA THR A 7 -5.341 3.820 -8.326 1.00 0.00 C ATOM 103 C THR A 7 -6.264 3.958 -7.107 1.00 0.00 C ATOM 104 O THR A 7 -5.836 3.778 -5.982 1.00 0.00 O ATOM 105 CB THR A 7 -4.986 5.211 -8.886 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.156 5.060 -10.029 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.251 6.043 -7.831 1.00 0.00 C ATOM 0 H THR A 7 -6.180 3.619 -10.291 1.00 0.00 H new ATOM 0 HA THR A 7 -4.446 3.285 -8.008 1.00 0.00 H new ATOM 0 HB THR A 7 -5.907 5.726 -9.160 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.708 4.830 -10.806 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.008 7.022 -8.244 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.889 6.166 -6.956 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.332 5.533 -7.541 1.00 0.00 H new ATOM 115 N GLU A 8 -7.526 4.273 -7.317 1.00 0.00 N ATOM 116 CA GLU A 8 -8.456 4.412 -6.141 1.00 0.00 C ATOM 117 C GLU A 8 -8.585 3.062 -5.434 1.00 0.00 C ATOM 118 O GLU A 8 -8.538 2.989 -4.220 1.00 0.00 O ATOM 119 CB GLU A 8 -9.818 4.864 -6.693 1.00 0.00 C ATOM 120 CG GLU A 8 -9.788 6.369 -6.960 1.00 0.00 C ATOM 121 CD GLU A 8 -10.073 7.125 -5.661 1.00 0.00 C ATOM 122 OE1 GLU A 8 -11.238 7.298 -5.343 1.00 0.00 O ATOM 123 OE2 GLU A 8 -9.122 7.517 -5.005 1.00 0.00 O ATOM 0 H GLU A 8 -7.946 4.437 -8.232 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.081 5.137 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.046 4.326 -7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.608 4.626 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.815 6.659 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.530 6.630 -7.715 1.00 0.00 H new ATOM 130 N ASN A 9 -8.720 1.988 -6.181 1.00 0.00 N ATOM 131 CA ASN A 9 -8.818 0.640 -5.521 1.00 0.00 C ATOM 132 C ASN A 9 -7.446 0.271 -4.943 1.00 0.00 C ATOM 133 O ASN A 9 -7.353 -0.262 -3.853 1.00 0.00 O ATOM 134 CB ASN A 9 -9.231 -0.365 -6.607 1.00 0.00 C ATOM 135 CG ASN A 9 -10.668 -0.073 -7.056 1.00 0.00 C ATOM 136 OD1 ASN A 9 -10.955 1.009 -7.530 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.592 -0.993 -6.929 1.00 0.00 N ATOM 0 H ASN A 9 -8.766 1.983 -7.200 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.546 0.638 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.552 -0.297 -7.457 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.159 -1.382 -6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.548 -0.800 -7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.355 -1.902 -6.532 1.00 0.00 H new ATOM 144 N LEU A 10 -6.376 0.568 -5.656 1.00 0.00 N ATOM 145 CA LEU A 10 -5.011 0.242 -5.117 1.00 0.00 C ATOM 146 C LEU A 10 -4.772 1.016 -3.816 1.00 0.00 C ATOM 147 O LEU A 10 -4.228 0.481 -2.869 1.00 0.00 O ATOM 148 CB LEU A 10 -3.991 0.675 -6.181 1.00 0.00 C ATOM 149 CG LEU A 10 -3.749 -0.477 -7.154 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.835 -0.005 -8.286 1.00 0.00 C ATOM 151 CD2 LEU A 10 -3.085 -1.638 -6.410 1.00 0.00 C ATOM 0 H LEU A 10 -6.389 1.015 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.918 -0.823 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.360 1.548 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.054 0.966 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.700 -0.808 -7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.662 -0.827 -8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.308 0.823 -8.814 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.883 0.326 -7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.911 -2.462 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.134 -1.307 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.737 -1.973 -5.603 1.00 0.00 H new ATOM 163 N LYS A 11 -5.184 2.267 -3.752 1.00 0.00 N ATOM 164 CA LYS A 11 -4.974 3.052 -2.480 1.00 0.00 C ATOM 165 C LYS A 11 -5.606 2.322 -1.284 1.00 0.00 C ATOM 166 O LYS A 11 -5.132 2.441 -0.169 1.00 0.00 O ATOM 167 CB LYS A 11 -5.643 4.421 -2.683 1.00 0.00 C ATOM 168 CG LYS A 11 -5.059 5.428 -1.690 1.00 0.00 C ATOM 169 CD LYS A 11 -5.687 6.803 -1.926 1.00 0.00 C ATOM 170 CE LYS A 11 -5.197 7.780 -0.856 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.242 7.743 0.205 1.00 0.00 N ATOM 0 H LYS A 11 -5.647 2.772 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.911 3.165 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.484 4.767 -3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.720 4.336 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.251 5.100 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.977 5.486 -1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.421 7.170 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.774 6.728 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.225 7.481 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.082 8.785 -1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.977 8.389 0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.155 8.039 -0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.325 6.775 0.577 1.00 0.00 H new ATOM 185 N VAL A 12 -6.656 1.551 -1.498 1.00 0.00 N ATOM 186 CA VAL A 12 -7.273 0.810 -0.346 1.00 0.00 C ATOM 187 C VAL A 12 -6.457 -0.461 -0.084 1.00 0.00 C ATOM 188 O VAL A 12 -6.154 -0.785 1.049 1.00 0.00 O ATOM 189 CB VAL A 12 -8.710 0.464 -0.769 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.388 -0.360 0.325 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.498 1.757 -0.993 1.00 0.00 C ATOM 0 H VAL A 12 -7.103 1.406 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.282 1.400 0.570 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.684 -0.116 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.406 -0.602 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.828 -1.281 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.414 0.215 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.517 1.514 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.519 2.335 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.019 2.344 -1.777 1.00 0.00 H new ATOM 201 N ILE A 13 -6.084 -1.173 -1.124 1.00 0.00 N ATOM 202 CA ILE A 13 -5.263 -2.415 -0.916 1.00 0.00 C ATOM 203 C ILE A 13 -3.849 -2.032 -0.440 1.00 0.00 C ATOM 204 O ILE A 13 -3.240 -2.755 0.325 1.00 0.00 O ATOM 205 CB ILE A 13 -5.210 -3.142 -2.272 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.641 -3.483 -2.725 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.393 -4.431 -2.131 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.831 -3.096 -4.194 1.00 0.00 C ATOM 0 H ILE A 13 -6.308 -0.954 -2.095 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.699 -3.061 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.739 -2.497 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.829 -4.549 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.364 -2.953 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.356 -4.945 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.380 -4.187 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.861 -5.079 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.846 -3.341 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.663 -2.026 -4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.119 -3.646 -4.810 1.00 0.00 H new ATOM 220 N VAL A 14 -3.323 -0.896 -0.867 1.00 0.00 N ATOM 221 CA VAL A 14 -1.951 -0.493 -0.397 1.00 0.00 C ATOM 222 C VAL A 14 -2.027 -0.034 1.069 1.00 0.00 C ATOM 223 O VAL A 14 -1.154 -0.339 1.859 1.00 0.00 O ATOM 224 CB VAL A 14 -1.493 0.662 -1.309 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.098 1.132 -0.886 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.456 0.181 -2.769 1.00 0.00 C ATOM 0 H VAL A 14 -3.776 -0.244 -1.508 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.245 -1.322 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.194 1.492 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.223 1.949 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.128 1.478 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.606 0.304 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.132 0.998 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.758 -0.651 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.452 -0.145 -3.070 1.00 0.00 H new ATOM 236 N ALA A 15 -3.071 0.682 1.448 1.00 0.00 N ATOM 237 CA ALA A 15 -3.183 1.129 2.884 1.00 0.00 C ATOM 238 C ALA A 15 -3.368 -0.095 3.802 1.00 0.00 C ATOM 239 O ALA A 15 -2.887 -0.108 4.920 1.00 0.00 O ATOM 240 CB ALA A 15 -4.412 2.047 2.972 1.00 0.00 C ATOM 0 H ALA A 15 -3.836 0.971 0.838 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.283 1.654 3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.533 2.396 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.275 2.903 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.301 1.494 2.670 1.00 0.00 H new ATOM 246 N GLU A 16 -4.057 -1.128 3.345 1.00 0.00 N ATOM 247 CA GLU A 16 -4.256 -2.348 4.215 1.00 0.00 C ATOM 248 C GLU A 16 -2.901 -2.878 4.719 1.00 0.00 C ATOM 249 O GLU A 16 -2.803 -3.361 5.833 1.00 0.00 O ATOM 250 CB GLU A 16 -4.933 -3.409 3.332 1.00 0.00 C ATOM 251 CG GLU A 16 -5.254 -4.651 4.167 1.00 0.00 C ATOM 252 CD GLU A 16 -5.138 -5.900 3.292 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.056 -6.145 2.784 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.132 -6.591 3.145 1.00 0.00 O ATOM 0 H GLU A 16 -4.485 -1.179 2.420 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.862 -2.107 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.848 -3.005 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.278 -3.676 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.569 -4.721 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.260 -4.575 4.579 1.00 0.00 H new ATOM 261 N LYS A 17 -1.856 -2.791 3.918 1.00 0.00 N ATOM 262 CA LYS A 17 -0.519 -3.298 4.387 1.00 0.00 C ATOM 263 C LYS A 17 0.185 -2.214 5.219 1.00 0.00 C ATOM 264 O LYS A 17 0.736 -2.497 6.266 1.00 0.00 O ATOM 265 CB LYS A 17 0.296 -3.627 3.124 1.00 0.00 C ATOM 266 CG LYS A 17 0.950 -5.005 3.274 1.00 0.00 C ATOM 267 CD LYS A 17 1.965 -4.972 4.420 1.00 0.00 C ATOM 268 CE LYS A 17 1.326 -5.535 5.692 1.00 0.00 C ATOM 269 NZ LYS A 17 2.448 -6.170 6.438 1.00 0.00 N ATOM 0 H LYS A 17 -1.870 -2.398 2.977 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.625 -4.181 5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.353 -3.615 2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.061 -2.867 2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.189 -5.760 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.445 -5.286 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.846 -5.556 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.301 -3.949 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.857 -4.746 6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.548 -6.261 5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.102 -6.520 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.827 -6.965 5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.200 -5.469 6.597 1.00 0.00 H new ATOM 283 N LEU A 18 0.167 -0.974 4.771 1.00 0.00 N ATOM 284 CA LEU A 18 0.839 0.112 5.569 1.00 0.00 C ATOM 285 C LEU A 18 0.130 0.271 6.922 1.00 0.00 C ATOM 286 O LEU A 18 0.764 0.266 7.960 1.00 0.00 O ATOM 287 CB LEU A 18 0.709 1.407 4.753 1.00 0.00 C ATOM 288 CG LEU A 18 1.570 1.310 3.495 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.030 2.273 2.433 1.00 0.00 C ATOM 290 CD2 LEU A 18 3.015 1.681 3.838 1.00 0.00 C ATOM 0 H LEU A 18 -0.275 -0.671 3.903 1.00 0.00 H new ATOM 0 HA LEU A 18 1.886 -0.126 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.333 1.574 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.022 2.261 5.355 1.00 0.00 H new ATOM 0 HG LEU A 18 1.540 0.291 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.643 2.205 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.001 2.008 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.061 3.293 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.631 1.612 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.047 2.700 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.397 0.995 4.594 1.00 0.00 H new ATOM 302 N ALA A 19 -1.183 0.399 6.921 1.00 0.00 N ATOM 303 CA ALA A 19 -1.918 0.543 8.229 1.00 0.00 C ATOM 304 C ALA A 19 -1.723 -0.721 9.090 1.00 0.00 C ATOM 305 O ALA A 19 -1.732 -0.648 10.304 1.00 0.00 O ATOM 306 CB ALA A 19 -3.406 0.721 7.886 1.00 0.00 C ATOM 0 H ALA A 19 -1.769 0.410 6.086 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.541 1.394 8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.981 0.830 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.534 1.612 7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.760 -0.152 7.338 1.00 0.00 H new ATOM 312 N GLY A 20 -1.555 -1.882 8.478 1.00 0.00 N ATOM 313 CA GLY A 20 -1.371 -3.131 9.277 1.00 0.00 C ATOM 314 C GLY A 20 0.036 -3.170 9.898 1.00 0.00 C ATOM 315 O GLY A 20 0.205 -3.649 11.004 1.00 0.00 O ATOM 0 H GLY A 20 -1.539 -2.009 7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.124 -3.181 10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.518 -4.003 8.639 1.00 0.00 H new ATOM 319 N ILE A 21 1.050 -2.680 9.207 1.00 0.00 N ATOM 320 CA ILE A 21 2.438 -2.716 9.802 1.00 0.00 C ATOM 321 C ILE A 21 2.456 -1.911 11.119 1.00 0.00 C ATOM 322 O ILE A 21 1.942 -0.812 11.165 1.00 0.00 O ATOM 323 CB ILE A 21 3.387 -2.081 8.761 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.385 -2.930 7.483 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.817 -2.010 9.322 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.579 -2.028 6.259 1.00 0.00 C ATOM 0 H ILE A 21 0.981 -2.265 8.278 1.00 0.00 H new ATOM 0 HA ILE A 21 2.750 -3.735 10.030 1.00 0.00 H new ATOM 0 HB ILE A 21 3.041 -1.072 8.535 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.181 -3.673 7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.445 -3.475 7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.477 -1.561 8.580 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.823 -1.403 10.227 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.166 -3.016 9.557 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.577 -2.636 5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.768 -1.302 6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.531 -1.503 6.341 1.00 0.00 H new ATOM 338 N PRO A 22 3.043 -2.479 12.156 1.00 0.00 N ATOM 339 CA PRO A 22 3.100 -1.774 13.462 1.00 0.00 C ATOM 340 C PRO A 22 4.108 -0.616 13.408 1.00 0.00 C ATOM 341 O PRO A 22 3.855 0.454 13.931 1.00 0.00 O ATOM 342 CB PRO A 22 3.563 -2.851 14.439 1.00 0.00 C ATOM 343 CG PRO A 22 4.304 -3.842 13.600 1.00 0.00 C ATOM 344 CD PRO A 22 3.697 -3.798 12.222 1.00 0.00 C ATOM 0 HA PRO A 22 2.145 -1.332 13.746 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.205 -2.432 15.214 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.716 -3.316 14.944 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.365 -3.597 13.561 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.223 -4.843 14.025 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.458 -3.904 11.448 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.980 -4.606 12.077 1.00 0.00 H new ATOM 415 N ASP A 27 2.041 9.339 8.425 1.00 0.00 N ATOM 416 CA ASP A 27 2.252 9.290 6.939 1.00 0.00 C ATOM 417 C ASP A 27 1.868 7.907 6.378 1.00 0.00 C ATOM 418 O ASP A 27 2.610 7.320 5.617 1.00 0.00 O ATOM 419 CB ASP A 27 3.745 9.560 6.728 1.00 0.00 C ATOM 420 CG ASP A 27 3.987 11.068 6.653 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.848 11.617 5.573 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.307 11.648 7.677 1.00 0.00 O ATOM 0 HA ASP A 27 1.631 10.021 6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.322 9.129 7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.086 9.081 5.810 1.00 0.00 H new ATOM 427 N ILE A 28 0.718 7.382 6.752 1.00 0.00 N ATOM 428 CA ILE A 28 0.305 6.036 6.232 1.00 0.00 C ATOM 429 C ILE A 28 -0.711 6.177 5.076 1.00 0.00 C ATOM 430 O ILE A 28 -0.712 5.377 4.158 1.00 0.00 O ATOM 431 CB ILE A 28 -0.270 5.278 7.455 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.335 3.766 7.166 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.664 5.797 7.838 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.331 3.460 6.037 1.00 0.00 C ATOM 0 H ILE A 28 0.055 7.824 7.389 1.00 0.00 H new ATOM 0 HA ILE A 28 1.140 5.483 5.802 1.00 0.00 H new ATOM 0 HB ILE A 28 0.399 5.456 8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.655 3.403 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.630 3.232 8.070 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.035 5.242 8.700 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.602 6.856 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.346 5.662 6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.356 2.386 5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.325 3.802 6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.020 3.975 5.128 1.00 0.00 H new ATOM 446 N LYS A 29 -1.556 7.185 5.086 1.00 0.00 N ATOM 447 CA LYS A 29 -2.521 7.346 3.946 1.00 0.00 C ATOM 448 C LYS A 29 -1.814 8.075 2.796 1.00 0.00 C ATOM 449 O LYS A 29 -2.010 7.748 1.640 1.00 0.00 O ATOM 450 CB LYS A 29 -3.703 8.173 4.473 1.00 0.00 C ATOM 451 CG LYS A 29 -4.485 7.352 5.500 1.00 0.00 C ATOM 452 CD LYS A 29 -5.445 8.268 6.263 1.00 0.00 C ATOM 453 CE LYS A 29 -6.524 8.786 5.310 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.727 8.987 6.164 1.00 0.00 N ATOM 0 H LYS A 29 -1.620 7.891 5.819 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.875 6.385 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.341 9.095 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.356 8.460 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.042 6.560 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.798 6.869 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.905 7.724 7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.898 9.104 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.217 9.718 4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.722 8.071 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.511 9.342 5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.000 8.082 6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.511 9.678 6.911 1.00 0.00 H new ATOM 468 N TYR A 30 -0.970 9.045 3.099 1.00 0.00 N ATOM 469 CA TYR A 30 -0.237 9.759 2.000 1.00 0.00 C ATOM 470 C TYR A 30 0.855 8.850 1.410 1.00 0.00 C ATOM 471 O TYR A 30 1.184 8.968 0.244 1.00 0.00 O ATOM 472 CB TYR A 30 0.392 11.015 2.625 1.00 0.00 C ATOM 473 CG TYR A 30 -0.692 11.879 3.222 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.688 12.419 2.400 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.702 12.139 4.597 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.694 13.220 2.953 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.708 12.940 5.151 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.704 13.480 4.330 1.00 0.00 C ATOM 479 OH TYR A 30 -3.695 14.270 4.875 1.00 0.00 O ATOM 0 H TYR A 30 -0.762 9.366 4.045 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.914 10.027 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.110 10.730 3.395 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.942 11.574 1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.680 12.218 1.339 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.066 11.722 5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.462 13.637 2.319 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.715 13.141 6.212 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.556 14.349 5.842 1.00 0.00 H new ATOM 489 N VAL A 31 1.418 7.937 2.187 1.00 0.00 N ATOM 490 CA VAL A 31 2.480 7.040 1.611 1.00 0.00 C ATOM 491 C VAL A 31 1.847 6.041 0.621 1.00 0.00 C ATOM 492 O VAL A 31 2.441 5.713 -0.388 1.00 0.00 O ATOM 493 CB VAL A 31 3.171 6.323 2.800 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.254 5.260 3.415 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.471 5.663 2.314 1.00 0.00 C ATOM 0 H VAL A 31 1.193 7.780 3.169 1.00 0.00 H new ATOM 0 HA VAL A 31 3.222 7.608 1.050 1.00 0.00 H new ATOM 0 HB VAL A 31 3.393 7.066 3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.766 4.775 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.341 5.733 3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.002 4.516 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.957 5.159 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.241 4.936 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.138 6.426 1.912 1.00 0.00 H new ATOM 505 N ALA A 32 0.644 5.564 0.891 1.00 0.00 N ATOM 506 CA ALA A 32 0.000 4.597 -0.070 1.00 0.00 C ATOM 507 C ALA A 32 -0.236 5.290 -1.421 1.00 0.00 C ATOM 508 O ALA A 32 -0.056 4.689 -2.465 1.00 0.00 O ATOM 509 CB ALA A 32 -1.340 4.173 0.551 1.00 0.00 C ATOM 0 H ALA A 32 0.092 5.797 1.716 1.00 0.00 H new ATOM 0 HA ALA A 32 0.636 3.729 -0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.843 3.470 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.160 3.696 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.969 5.052 0.693 1.00 0.00 H new ATOM 515 N GLU A 33 -0.627 6.552 -1.420 1.00 0.00 N ATOM 516 CA GLU A 33 -0.856 7.263 -2.735 1.00 0.00 C ATOM 517 C GLU A 33 0.444 7.248 -3.551 1.00 0.00 C ATOM 518 O GLU A 33 0.443 6.914 -4.721 1.00 0.00 O ATOM 519 CB GLU A 33 -1.270 8.717 -2.413 1.00 0.00 C ATOM 520 CG GLU A 33 -2.546 9.067 -3.179 1.00 0.00 C ATOM 521 CD GLU A 33 -2.681 10.588 -3.280 1.00 0.00 C ATOM 522 OE1 GLU A 33 -1.760 11.212 -3.783 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.700 11.103 -2.852 1.00 0.00 O ATOM 0 H GLU A 33 -0.795 7.112 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.635 6.772 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.434 8.831 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.469 9.403 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.516 8.627 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.414 8.647 -2.671 1.00 0.00 H new ATOM 530 N TYR A 34 1.558 7.586 -2.935 1.00 0.00 N ATOM 531 CA TYR A 34 2.864 7.558 -3.688 1.00 0.00 C ATOM 532 C TYR A 34 3.144 6.124 -4.155 1.00 0.00 C ATOM 533 O TYR A 34 3.592 5.905 -5.265 1.00 0.00 O ATOM 534 CB TYR A 34 3.950 8.032 -2.701 1.00 0.00 C ATOM 535 CG TYR A 34 5.337 8.016 -3.334 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.513 8.126 -4.729 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.458 7.911 -2.502 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.805 8.125 -5.272 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.745 7.916 -3.048 1.00 0.00 C ATOM 540 CZ TYR A 34 7.918 8.023 -4.432 1.00 0.00 C ATOM 541 OH TYR A 34 9.190 8.034 -4.969 1.00 0.00 O ATOM 0 H TYR A 34 1.622 7.876 -1.959 1.00 0.00 H new ATOM 0 HA TYR A 34 2.842 8.200 -4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.717 9.041 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.945 7.390 -1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.654 8.211 -5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.328 7.826 -1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.941 8.203 -6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.606 7.837 -2.401 1.00 0.00 H new ATOM 0 HH TYR A 34 9.847 7.892 -4.256 1.00 0.00 H new ATOM 551 N ILE A 35 2.860 5.139 -3.324 1.00 0.00 N ATOM 552 CA ILE A 35 3.090 3.711 -3.748 1.00 0.00 C ATOM 553 C ILE A 35 2.222 3.420 -4.984 1.00 0.00 C ATOM 554 O ILE A 35 2.707 2.918 -5.981 1.00 0.00 O ATOM 555 CB ILE A 35 2.680 2.834 -2.545 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.682 3.051 -1.410 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.672 1.353 -2.931 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.197 2.332 -0.150 1.00 0.00 C ATOM 0 H ILE A 35 2.484 5.259 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 35 4.127 3.510 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 35 1.676 3.117 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.663 2.674 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.796 4.117 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.380 0.754 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.961 1.192 -3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.669 1.057 -3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.913 2.489 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.226 2.729 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.106 1.265 -0.352 1.00 0.00 H new ATOM 570 N VAL A 36 0.950 3.762 -4.937 1.00 0.00 N ATOM 571 CA VAL A 36 0.073 3.529 -6.139 1.00 0.00 C ATOM 572 C VAL A 36 0.609 4.361 -7.313 1.00 0.00 C ATOM 573 O VAL A 36 0.676 3.888 -8.431 1.00 0.00 O ATOM 574 CB VAL A 36 -1.346 3.986 -5.755 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.292 3.802 -6.946 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.846 3.148 -4.576 1.00 0.00 C ATOM 0 H VAL A 36 0.487 4.185 -4.133 1.00 0.00 H new ATOM 0 HA VAL A 36 0.063 2.481 -6.438 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.322 5.039 -5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.295 4.127 -6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.938 4.397 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.318 2.750 -7.231 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.851 3.469 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.866 2.096 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.177 3.281 -3.725 1.00 0.00 H new ATOM 586 N LEU A 37 1.014 5.596 -7.064 1.00 0.00 N ATOM 587 CA LEU A 37 1.571 6.440 -8.186 1.00 0.00 C ATOM 588 C LEU A 37 2.749 5.697 -8.831 1.00 0.00 C ATOM 589 O LEU A 37 2.854 5.627 -10.042 1.00 0.00 O ATOM 590 CB LEU A 37 2.053 7.759 -7.560 1.00 0.00 C ATOM 591 CG LEU A 37 1.925 8.886 -8.586 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.534 9.513 -8.484 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.985 9.954 -8.303 1.00 0.00 C ATOM 0 H LEU A 37 0.984 6.048 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 37 0.822 6.635 -8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.462 7.991 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.089 7.663 -7.236 1.00 0.00 H new ATOM 0 HG LEU A 37 2.070 8.483 -9.588 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.442 10.316 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.223 8.754 -8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.389 9.916 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.895 10.758 -9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.838 10.356 -7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.978 9.509 -8.373 1.00 0.00 H new ATOM 605 N LEU A 38 3.618 5.109 -8.030 1.00 0.00 N ATOM 606 CA LEU A 38 4.762 4.335 -8.624 1.00 0.00 C ATOM 607 C LEU A 38 4.190 3.127 -9.384 1.00 0.00 C ATOM 608 O LEU A 38 4.630 2.801 -10.469 1.00 0.00 O ATOM 609 CB LEU A 38 5.639 3.856 -7.454 1.00 0.00 C ATOM 610 CG LEU A 38 6.270 5.060 -6.754 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.863 4.617 -5.415 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.378 5.638 -7.635 1.00 0.00 C ATOM 0 H LEU A 38 3.585 5.131 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 38 5.349 4.942 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.037 3.286 -6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.418 3.188 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 38 5.509 5.821 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.313 5.475 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.074 4.204 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.625 3.857 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.828 6.496 -7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.140 4.878 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.957 5.953 -8.590 1.00 0.00 H new ATOM 624 N ILE A 39 3.195 2.469 -8.819 1.00 0.00 N ATOM 625 CA ILE A 39 2.576 1.284 -9.516 1.00 0.00 C ATOM 626 C ILE A 39 1.971 1.741 -10.853 1.00 0.00 C ATOM 627 O ILE A 39 2.194 1.126 -11.880 1.00 0.00 O ATOM 628 CB ILE A 39 1.480 0.754 -8.560 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.142 0.162 -7.299 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.610 -0.310 -9.249 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.879 -1.142 -7.633 1.00 0.00 C ATOM 0 H ILE A 39 2.788 2.699 -7.913 1.00 0.00 H new ATOM 0 HA ILE A 39 3.304 0.504 -9.737 1.00 0.00 H new ATOM 0 HB ILE A 39 0.833 1.585 -8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.842 0.883 -6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.384 -0.028 -6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.151 -0.664 -8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.127 0.125 -10.124 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.236 -1.147 -9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.338 -1.542 -6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.171 -1.868 -8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.652 -0.943 -8.375 1.00 0.00 H new ATOM 643 N VAL A 40 1.220 2.822 -10.855 1.00 0.00 N ATOM 644 CA VAL A 40 0.622 3.310 -12.152 1.00 0.00 C ATOM 645 C VAL A 40 1.749 3.645 -13.144 1.00 0.00 C ATOM 646 O VAL A 40 1.621 3.407 -14.331 1.00 0.00 O ATOM 647 CB VAL A 40 -0.205 4.570 -11.825 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.852 5.115 -13.105 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.302 4.216 -10.814 1.00 0.00 C ATOM 0 H VAL A 40 0.996 3.381 -10.032 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.012 2.549 -12.608 1.00 0.00 H new ATOM 0 HB VAL A 40 0.453 5.329 -11.401 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.435 6.005 -12.868 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.075 5.372 -13.825 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.507 4.356 -13.533 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.886 5.107 -10.584 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.956 3.454 -11.238 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.846 3.835 -9.900 1.00 0.00 H new ATOM 659 N ASN A 41 2.852 4.193 -12.673 1.00 0.00 N ATOM 660 CA ASN A 41 3.981 4.533 -13.614 1.00 0.00 C ATOM 661 C ASN A 41 4.428 3.285 -14.393 1.00 0.00 C ATOM 662 O ASN A 41 4.769 3.375 -15.558 1.00 0.00 O ATOM 663 CB ASN A 41 5.140 5.056 -12.749 1.00 0.00 C ATOM 664 CG ASN A 41 5.004 6.574 -12.576 1.00 0.00 C ATOM 665 OD1 ASN A 41 5.177 7.317 -13.522 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.702 7.075 -11.403 1.00 0.00 N ATOM 0 H ASN A 41 3.020 4.417 -11.692 1.00 0.00 H new ATOM 0 HA ASN A 41 3.664 5.280 -14.342 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.131 4.566 -11.775 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.095 4.817 -13.218 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.613 8.084 -11.287 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.556 6.455 -10.606 1.00 0.00 H new ATOM 673 N GLY A 42 4.435 2.124 -13.769 1.00 0.00 N ATOM 674 CA GLY A 42 4.869 0.889 -14.507 1.00 0.00 C ATOM 675 C GLY A 42 4.673 -0.360 -13.632 1.00 0.00 C ATOM 676 O GLY A 42 4.065 -1.326 -14.056 1.00 0.00 O ATOM 0 H GLY A 42 4.163 1.980 -12.796 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.295 0.788 -15.428 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.917 0.979 -14.793 1.00 0.00 H new ATOM 680 N GLY A 43 5.183 -0.352 -12.420 1.00 0.00 N ATOM 681 CA GLY A 43 5.024 -1.540 -11.533 1.00 0.00 C ATOM 682 C GLY A 43 6.365 -2.277 -11.415 1.00 0.00 C ATOM 683 O GLY A 43 6.441 -3.470 -11.640 1.00 0.00 O ATOM 0 H GLY A 43 5.700 0.427 -12.012 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.682 -1.227 -10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.264 -2.209 -11.937 1.00 0.00 H new ATOM 687 N THR A 44 7.422 -1.581 -11.050 1.00 0.00 N ATOM 688 CA THR A 44 8.749 -2.249 -10.902 1.00 0.00 C ATOM 689 C THR A 44 9.152 -2.228 -9.420 1.00 0.00 C ATOM 690 O THR A 44 9.527 -1.199 -8.895 1.00 0.00 O ATOM 691 CB THR A 44 9.712 -1.417 -11.753 1.00 0.00 C ATOM 692 OG1 THR A 44 9.413 -0.036 -11.585 1.00 0.00 O ATOM 693 CG2 THR A 44 9.550 -1.804 -13.225 1.00 0.00 C ATOM 0 H THR A 44 7.417 -0.581 -10.850 1.00 0.00 H new ATOM 0 HA THR A 44 8.746 -3.291 -11.223 1.00 0.00 H new ATOM 0 HB THR A 44 10.739 -1.606 -11.440 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.275 0.155 -10.634 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.234 -1.213 -13.834 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.775 -2.863 -13.350 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.525 -1.611 -13.541 1.00 0.00 H new ATOM 701 N VAL A 45 9.042 -3.349 -8.729 1.00 0.00 N ATOM 702 CA VAL A 45 9.388 -3.372 -7.253 1.00 0.00 C ATOM 703 C VAL A 45 10.758 -2.715 -6.992 1.00 0.00 C ATOM 704 O VAL A 45 10.937 -2.048 -5.992 1.00 0.00 O ATOM 705 CB VAL A 45 9.401 -4.854 -6.815 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.803 -4.962 -5.339 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.999 -5.451 -6.990 1.00 0.00 C ATOM 0 H VAL A 45 8.732 -4.241 -9.115 1.00 0.00 H new ATOM 0 HA VAL A 45 8.654 -2.804 -6.681 1.00 0.00 H new ATOM 0 HB VAL A 45 10.119 -5.397 -7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.809 -6.010 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.798 -4.539 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.088 -4.414 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.008 -6.496 -6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.289 -4.897 -6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.703 -5.384 -8.037 1.00 0.00 H new ATOM 717 N GLU A 46 11.719 -2.885 -7.872 1.00 0.00 N ATOM 718 CA GLU A 46 13.058 -2.241 -7.626 1.00 0.00 C ATOM 719 C GLU A 46 12.909 -0.716 -7.675 1.00 0.00 C ATOM 720 O GLU A 46 13.294 -0.027 -6.748 1.00 0.00 O ATOM 721 CB GLU A 46 14.004 -2.728 -8.734 1.00 0.00 C ATOM 722 CG GLU A 46 14.265 -4.225 -8.561 1.00 0.00 C ATOM 723 CD GLU A 46 15.403 -4.655 -9.489 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.503 -4.156 -9.316 1.00 0.00 O ATOM 725 OE2 GLU A 46 15.156 -5.477 -10.356 1.00 0.00 O ATOM 0 H GLU A 46 11.642 -3.428 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 46 13.454 -2.508 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.564 -2.535 -9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.944 -2.177 -8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.525 -4.442 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.362 -4.791 -8.789 1.00 0.00 H new ATOM 732 N SER A 47 12.335 -0.180 -8.733 1.00 0.00 N ATOM 733 CA SER A 47 12.155 1.312 -8.794 1.00 0.00 C ATOM 734 C SER A 47 11.095 1.742 -7.767 1.00 0.00 C ATOM 735 O SER A 47 11.216 2.785 -7.154 1.00 0.00 O ATOM 736 CB SER A 47 11.691 1.652 -10.217 1.00 0.00 C ATOM 737 OG SER A 47 12.090 0.612 -11.100 1.00 0.00 O ATOM 0 H SER A 47 11.990 -0.698 -9.541 1.00 0.00 H new ATOM 0 HA SER A 47 13.083 1.834 -8.561 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.608 1.770 -10.241 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.122 2.601 -10.536 1.00 0.00 H new ATOM 0 HG SER A 47 11.794 0.824 -12.010 1.00 0.00 H new ATOM 743 N VAL A 48 10.063 0.944 -7.563 1.00 0.00 N ATOM 744 CA VAL A 48 9.014 1.330 -6.554 1.00 0.00 C ATOM 745 C VAL A 48 9.583 1.210 -5.133 1.00 0.00 C ATOM 746 O VAL A 48 9.276 2.022 -4.279 1.00 0.00 O ATOM 747 CB VAL A 48 7.824 0.370 -6.750 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.699 0.741 -5.779 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.303 0.481 -8.188 1.00 0.00 C ATOM 0 H VAL A 48 9.904 0.058 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 48 8.695 2.363 -6.692 1.00 0.00 H new ATOM 0 HB VAL A 48 8.153 -0.651 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.859 0.061 -5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.062 0.663 -4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.375 1.764 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.462 -0.199 -8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.978 1.504 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.099 0.217 -8.885 1.00 0.00 H new ATOM 759 N VAL A 49 10.429 0.232 -4.868 1.00 0.00 N ATOM 760 CA VAL A 49 11.019 0.127 -3.485 1.00 0.00 C ATOM 761 C VAL A 49 12.121 1.190 -3.338 1.00 0.00 C ATOM 762 O VAL A 49 12.247 1.813 -2.299 1.00 0.00 O ATOM 763 CB VAL A 49 11.586 -1.302 -3.344 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.369 -1.436 -2.032 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.429 -2.304 -3.334 1.00 0.00 C ATOM 0 H VAL A 49 10.731 -0.482 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 49 10.279 0.303 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 49 12.253 -1.502 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.763 -2.449 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.194 -0.724 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.707 -1.231 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.824 -3.315 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.768 -2.088 -2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.870 -2.223 -4.266 1.00 0.00 H new ATOM 775 N ASP A 50 12.906 1.421 -4.373 1.00 0.00 N ATOM 776 CA ASP A 50 13.978 2.473 -4.272 1.00 0.00 C ATOM 777 C ASP A 50 13.330 3.862 -4.160 1.00 0.00 C ATOM 778 O ASP A 50 13.812 4.712 -3.435 1.00 0.00 O ATOM 779 CB ASP A 50 14.819 2.378 -5.554 1.00 0.00 C ATOM 780 CG ASP A 50 16.093 3.209 -5.392 1.00 0.00 C ATOM 781 OD1 ASP A 50 17.000 2.744 -4.722 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.141 4.298 -5.941 1.00 0.00 O ATOM 0 H ASP A 50 12.852 0.935 -5.268 1.00 0.00 H new ATOM 0 HA ASP A 50 14.601 2.321 -3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.074 1.338 -5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.243 2.738 -6.407 1.00 0.00 H new ATOM 787 N GLU A 51 12.237 4.102 -4.862 1.00 0.00 N ATOM 788 CA GLU A 51 11.576 5.454 -4.761 1.00 0.00 C ATOM 789 C GLU A 51 10.950 5.616 -3.372 1.00 0.00 C ATOM 790 O GLU A 51 11.068 6.659 -2.756 1.00 0.00 O ATOM 791 CB GLU A 51 10.486 5.516 -5.849 1.00 0.00 C ATOM 792 CG GLU A 51 11.009 6.296 -7.060 1.00 0.00 C ATOM 793 CD GLU A 51 11.398 5.323 -8.175 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.515 4.903 -8.903 1.00 0.00 O ATOM 795 OE2 GLU A 51 12.574 5.015 -8.282 1.00 0.00 O ATOM 0 H GLU A 51 11.783 3.436 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 51 12.300 6.256 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.201 4.508 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.591 5.996 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.245 6.986 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.872 6.897 -6.772 1.00 0.00 H new ATOM 802 N LEU A 52 10.303 4.589 -2.863 1.00 0.00 N ATOM 803 CA LEU A 52 9.697 4.704 -1.492 1.00 0.00 C ATOM 804 C LEU A 52 10.816 4.735 -0.444 1.00 0.00 C ATOM 805 O LEU A 52 10.736 5.464 0.523 1.00 0.00 O ATOM 806 CB LEU A 52 8.802 3.472 -1.290 1.00 0.00 C ATOM 807 CG LEU A 52 7.618 3.540 -2.254 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.989 2.152 -2.391 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.575 4.521 -1.711 1.00 0.00 C ATOM 0 H LEU A 52 10.170 3.691 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 52 9.111 5.618 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.374 2.561 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.445 3.433 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 52 7.964 3.879 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.145 2.201 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.731 1.453 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.643 1.812 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.730 4.571 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.230 4.181 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.022 5.510 -1.614 1.00 0.00 H new ATOM 821 N ALA A 53 11.870 3.965 -0.633 1.00 0.00 N ATOM 822 CA ALA A 53 12.996 3.990 0.365 1.00 0.00 C ATOM 823 C ALA A 53 13.657 5.379 0.358 1.00 0.00 C ATOM 824 O ALA A 53 14.026 5.895 1.396 1.00 0.00 O ATOM 825 CB ALA A 53 14.007 2.918 -0.071 1.00 0.00 C ATOM 0 H ALA A 53 11.998 3.331 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 53 12.636 3.790 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.844 2.901 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.522 1.942 -0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.374 3.149 -1.071 1.00 0.00 H new ATOM 831 N SER A 54 13.804 5.994 -0.801 1.00 0.00 N ATOM 832 CA SER A 54 14.439 7.363 -0.845 1.00 0.00 C ATOM 833 C SER A 54 13.639 8.350 0.023 1.00 0.00 C ATOM 834 O SER A 54 14.209 9.222 0.653 1.00 0.00 O ATOM 835 CB SER A 54 14.423 7.815 -2.313 1.00 0.00 C ATOM 836 OG SER A 54 14.978 6.790 -3.126 1.00 0.00 O ATOM 0 H SER A 54 13.518 5.616 -1.704 1.00 0.00 H new ATOM 0 HA SER A 54 15.457 7.332 -0.457 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.402 8.032 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.995 8.736 -2.428 1.00 0.00 H new ATOM 0 HG SER A 54 14.256 6.256 -3.517 1.00 0.00 H new ATOM 842 N LEU A 55 12.328 8.221 0.069 1.00 0.00 N ATOM 843 CA LEU A 55 11.513 9.161 0.914 1.00 0.00 C ATOM 844 C LEU A 55 11.270 8.534 2.296 1.00 0.00 C ATOM 845 O LEU A 55 11.366 9.201 3.309 1.00 0.00 O ATOM 846 CB LEU A 55 10.181 9.366 0.166 1.00 0.00 C ATOM 847 CG LEU A 55 9.989 10.851 -0.155 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.271 10.994 -1.500 1.00 0.00 C ATOM 849 CD2 LEU A 55 9.149 11.506 0.944 1.00 0.00 C ATOM 0 H LEU A 55 11.793 7.514 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 55 12.021 10.113 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.177 8.782 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.352 9.006 0.776 1.00 0.00 H new ATOM 0 HG LEU A 55 10.962 11.340 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.134 12.051 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.869 10.528 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.298 10.505 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.012 12.563 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.176 11.017 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.660 11.405 1.902 1.00 0.00 H new ATOM 861 N PHE A 56 10.969 7.256 2.345 1.00 0.00 N ATOM 862 CA PHE A 56 10.737 6.585 3.660 1.00 0.00 C ATOM 863 C PHE A 56 11.921 5.659 3.974 1.00 0.00 C ATOM 864 O PHE A 56 11.813 4.451 3.872 1.00 0.00 O ATOM 865 CB PHE A 56 9.446 5.772 3.491 1.00 0.00 C ATOM 866 CG PHE A 56 8.307 6.695 3.126 1.00 0.00 C ATOM 867 CD1 PHE A 56 7.820 7.613 4.065 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.741 6.634 1.847 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.767 8.469 3.724 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.689 7.490 1.507 1.00 0.00 C ATOM 871 CZ PHE A 56 6.200 8.407 2.445 1.00 0.00 C ATOM 0 H PHE A 56 10.875 6.651 1.529 1.00 0.00 H new ATOM 0 HA PHE A 56 10.648 7.298 4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.579 5.018 2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.215 5.242 4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.257 7.660 5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.117 5.926 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.391 9.178 4.447 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.253 7.444 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.386 9.066 2.182 1.00 0.00 H new ATOM 881 N ASP A 57 13.053 6.214 4.361 1.00 0.00 N ATOM 882 CA ASP A 57 14.235 5.348 4.685 1.00 0.00 C ATOM 883 C ASP A 57 14.389 5.174 6.209 1.00 0.00 C ATOM 884 O ASP A 57 15.483 4.959 6.696 1.00 0.00 O ATOM 885 CB ASP A 57 15.454 6.075 4.103 1.00 0.00 C ATOM 886 CG ASP A 57 16.440 5.049 3.538 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.812 4.148 4.272 1.00 0.00 O ATOM 888 OD2 ASP A 57 16.805 5.181 2.383 1.00 0.00 O ATOM 0 H ASP A 57 13.206 7.217 4.465 1.00 0.00 H new ATOM 0 HA ASP A 57 14.121 4.348 4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.140 6.763 3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.938 6.672 4.876 1.00 0.00 H new ATOM 893 N SER A 58 13.310 5.248 6.967 1.00 0.00 N ATOM 894 CA SER A 58 13.427 5.065 8.454 1.00 0.00 C ATOM 895 C SER A 58 13.111 3.607 8.841 1.00 0.00 C ATOM 896 O SER A 58 13.702 3.070 9.759 1.00 0.00 O ATOM 897 CB SER A 58 12.405 6.020 9.082 1.00 0.00 C ATOM 898 OG SER A 58 12.232 7.147 8.233 1.00 0.00 O ATOM 0 H SER A 58 12.366 5.425 6.623 1.00 0.00 H new ATOM 0 HA SER A 58 14.437 5.279 8.804 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.453 5.509 9.226 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.747 6.341 10.066 1.00 0.00 H new ATOM 0 HG SER A 58 11.578 7.759 8.631 1.00 0.00 H new ATOM 904 N VAL A 59 12.195 2.957 8.148 1.00 0.00 N ATOM 905 CA VAL A 59 11.870 1.531 8.491 1.00 0.00 C ATOM 906 C VAL A 59 12.641 0.573 7.568 1.00 0.00 C ATOM 907 O VAL A 59 13.016 0.934 6.469 1.00 0.00 O ATOM 908 CB VAL A 59 10.344 1.376 8.314 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.934 1.572 6.846 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.928 -0.024 8.768 1.00 0.00 C ATOM 0 H VAL A 59 11.666 3.349 7.369 1.00 0.00 H new ATOM 0 HA VAL A 59 12.163 1.287 9.512 1.00 0.00 H new ATOM 0 HB VAL A 59 9.847 2.137 8.916 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.854 1.457 6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.223 2.570 6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.434 0.828 6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.851 -0.141 8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.445 -0.771 8.165 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.191 -0.159 9.817 1.00 0.00 H new ATOM 920 N SER A 60 12.890 -0.644 8.011 1.00 0.00 N ATOM 921 CA SER A 60 13.656 -1.621 7.147 1.00 0.00 C ATOM 922 C SER A 60 13.025 -1.734 5.745 1.00 0.00 C ATOM 923 O SER A 60 11.820 -1.674 5.598 1.00 0.00 O ATOM 924 CB SER A 60 13.590 -2.981 7.858 1.00 0.00 C ATOM 925 OG SER A 60 13.564 -2.772 9.265 1.00 0.00 O ATOM 0 H SER A 60 12.601 -1.003 8.921 1.00 0.00 H new ATOM 0 HA SER A 60 14.684 -1.286 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.701 -3.527 7.543 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.452 -3.590 7.585 1.00 0.00 H new ATOM 0 HG SER A 60 13.520 -3.637 9.723 1.00 0.00 H new ATOM 931 N ARG A 61 13.834 -1.904 4.714 1.00 0.00 N ATOM 932 CA ARG A 61 13.271 -2.028 3.317 1.00 0.00 C ATOM 933 C ARG A 61 12.192 -3.124 3.255 1.00 0.00 C ATOM 934 O ARG A 61 11.242 -3.014 2.503 1.00 0.00 O ATOM 935 CB ARG A 61 14.446 -2.402 2.399 1.00 0.00 C ATOM 936 CG ARG A 61 15.137 -1.128 1.904 1.00 0.00 C ATOM 937 CD ARG A 61 16.346 -0.814 2.795 1.00 0.00 C ATOM 938 NE ARG A 61 17.506 -0.736 1.864 1.00 0.00 N ATOM 939 CZ ARG A 61 17.853 0.412 1.349 1.00 0.00 C ATOM 940 NH1 ARG A 61 17.116 0.961 0.423 1.00 0.00 N ATOM 941 NH2 ARG A 61 18.938 1.010 1.760 1.00 0.00 N ATOM 0 H ARG A 61 14.850 -1.962 4.777 1.00 0.00 H new ATOM 0 HA ARG A 61 12.804 -1.092 3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.157 -3.027 2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.087 -2.986 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.459 -1.256 0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.436 -0.294 1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.207 0.125 3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.495 -1.590 3.545 1.00 0.00 H new ATOM 0 HE ARG A 61 18.029 -1.580 1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.269 0.493 0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.387 1.858 0.021 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.514 0.580 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.209 1.907 1.358 1.00 0.00 H new ATOM 955 N ASP A 62 12.327 -4.180 4.033 1.00 0.00 N ATOM 956 CA ASP A 62 11.288 -5.276 3.995 1.00 0.00 C ATOM 957 C ASP A 62 9.889 -4.701 4.271 1.00 0.00 C ATOM 958 O ASP A 62 8.915 -5.136 3.684 1.00 0.00 O ATOM 959 CB ASP A 62 11.668 -6.288 5.088 1.00 0.00 C ATOM 960 CG ASP A 62 11.139 -7.672 4.710 1.00 0.00 C ATOM 961 OD1 ASP A 62 10.005 -7.751 4.267 1.00 0.00 O ATOM 962 OD2 ASP A 62 11.876 -8.631 4.870 1.00 0.00 O ATOM 0 H ASP A 62 13.098 -4.332 4.684 1.00 0.00 H new ATOM 0 HA ASP A 62 11.261 -5.749 3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.751 -6.321 5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.252 -5.977 6.046 1.00 0.00 H new ATOM 967 N THR A 63 9.779 -3.723 5.147 1.00 0.00 N ATOM 968 CA THR A 63 8.421 -3.132 5.428 1.00 0.00 C ATOM 969 C THR A 63 7.928 -2.377 4.186 1.00 0.00 C ATOM 970 O THR A 63 6.774 -2.482 3.814 1.00 0.00 O ATOM 971 CB THR A 63 8.588 -2.172 6.624 1.00 0.00 C ATOM 972 OG1 THR A 63 9.009 -2.911 7.766 1.00 0.00 O ATOM 973 CG2 THR A 63 7.252 -1.488 6.931 1.00 0.00 C ATOM 0 H THR A 63 10.553 -3.314 5.671 1.00 0.00 H new ATOM 0 HA THR A 63 7.687 -3.903 5.663 1.00 0.00 H new ATOM 0 HB THR A 63 9.333 -1.416 6.377 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.675 -2.476 8.578 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.376 -0.811 7.776 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.924 -0.923 6.059 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.505 -2.243 7.177 1.00 0.00 H new ATOM 981 N LEU A 64 8.792 -1.631 3.531 1.00 0.00 N ATOM 982 CA LEU A 64 8.347 -0.894 2.298 1.00 0.00 C ATOM 983 C LEU A 64 8.087 -1.909 1.179 1.00 0.00 C ATOM 984 O LEU A 64 7.091 -1.831 0.483 1.00 0.00 O ATOM 985 CB LEU A 64 9.488 0.061 1.902 1.00 0.00 C ATOM 986 CG LEU A 64 9.831 0.987 3.084 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.287 0.769 3.508 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.646 2.450 2.666 1.00 0.00 C ATOM 0 H LEU A 64 9.770 -1.501 3.790 1.00 0.00 H new ATOM 0 HA LEU A 64 7.430 -0.332 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.368 -0.512 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.193 0.655 1.037 1.00 0.00 H new ATOM 0 HG LEU A 64 9.168 0.757 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.525 1.426 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.426 -0.269 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.947 0.994 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.890 3.102 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.306 2.675 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.611 2.615 2.367 1.00 0.00 H new ATOM 1000 N ALA A 65 8.966 -2.875 1.014 1.00 0.00 N ATOM 1001 CA ALA A 65 8.741 -3.910 -0.059 1.00 0.00 C ATOM 1002 C ALA A 65 7.437 -4.676 0.224 1.00 0.00 C ATOM 1003 O ALA A 65 6.723 -5.040 -0.691 1.00 0.00 O ATOM 1004 CB ALA A 65 9.941 -4.869 -0.011 1.00 0.00 C ATOM 0 H ALA A 65 9.816 -2.993 1.565 1.00 0.00 H new ATOM 0 HA ALA A 65 8.653 -3.448 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.822 -5.639 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.859 -4.312 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.994 -5.337 0.972 1.00 0.00 H new ATOM 1010 N ASN A 66 7.117 -4.925 1.482 1.00 0.00 N ATOM 1011 CA ASN A 66 5.845 -5.673 1.792 1.00 0.00 C ATOM 1012 C ASN A 66 4.634 -4.897 1.252 1.00 0.00 C ATOM 1013 O ASN A 66 3.724 -5.483 0.695 1.00 0.00 O ATOM 1014 CB ASN A 66 5.759 -5.793 3.323 1.00 0.00 C ATOM 1015 CG ASN A 66 6.477 -7.070 3.777 1.00 0.00 C ATOM 1016 OD1 ASN A 66 7.636 -7.264 3.473 1.00 0.00 O ATOM 1017 ND2 ASN A 66 5.837 -7.959 4.498 1.00 0.00 N ATOM 0 H ASN A 66 7.671 -4.648 2.293 1.00 0.00 H new ATOM 0 HA ASN A 66 5.846 -6.658 1.324 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.214 -4.921 3.793 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.716 -5.818 3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.313 -8.809 4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.863 -7.801 4.756 1.00 0.00 H new ATOM 1024 N VAL A 67 4.613 -3.584 1.396 1.00 0.00 N ATOM 1025 CA VAL A 67 3.442 -2.803 0.858 1.00 0.00 C ATOM 1026 C VAL A 67 3.508 -2.779 -0.679 1.00 0.00 C ATOM 1027 O VAL A 67 2.494 -2.890 -1.344 1.00 0.00 O ATOM 1028 CB VAL A 67 3.543 -1.382 1.438 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.377 -0.534 0.924 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.477 -1.453 2.968 1.00 0.00 C ATOM 0 H VAL A 67 5.339 -3.031 1.852 1.00 0.00 H new ATOM 0 HA VAL A 67 2.492 -3.255 1.142 1.00 0.00 H new ATOM 0 HB VAL A 67 4.486 -0.931 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.450 0.473 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.415 -0.484 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.434 -0.985 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.548 -0.447 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.532 -1.904 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.304 -2.058 3.340 1.00 0.00 H new ATOM 1040 N VAL A 68 4.689 -2.664 -1.255 1.00 0.00 N ATOM 1041 CA VAL A 68 4.781 -2.675 -2.758 1.00 0.00 C ATOM 1042 C VAL A 68 4.413 -4.080 -3.273 1.00 0.00 C ATOM 1043 O VAL A 68 3.804 -4.215 -4.319 1.00 0.00 O ATOM 1044 CB VAL A 68 6.235 -2.329 -3.121 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.397 -2.316 -4.643 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.584 -0.946 -2.562 1.00 0.00 C ATOM 0 H VAL A 68 5.576 -2.565 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 68 4.098 -1.956 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 68 6.902 -3.077 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.428 -2.071 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.149 -3.299 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.730 -1.569 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.614 -0.699 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.915 -0.201 -2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.472 -0.953 -1.478 1.00 0.00 H new ATOM 1056 N GLN A 69 4.769 -5.131 -2.550 1.00 0.00 N ATOM 1057 CA GLN A 69 4.417 -6.515 -3.025 1.00 0.00 C ATOM 1058 C GLN A 69 2.891 -6.679 -3.081 1.00 0.00 C ATOM 1059 O GLN A 69 2.363 -7.221 -4.035 1.00 0.00 O ATOM 1060 CB GLN A 69 5.018 -7.504 -2.013 1.00 0.00 C ATOM 1061 CG GLN A 69 4.933 -8.925 -2.574 1.00 0.00 C ATOM 1062 CD GLN A 69 5.579 -9.905 -1.587 1.00 0.00 C ATOM 1063 OE1 GLN A 69 6.552 -10.556 -1.917 1.00 0.00 O ATOM 1064 NE2 GLN A 69 5.083 -10.043 -0.382 1.00 0.00 N ATOM 0 H GLN A 69 5.279 -5.088 -1.668 1.00 0.00 H new ATOM 0 HA GLN A 69 4.811 -6.696 -4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.057 -7.244 -1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.481 -7.443 -1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.892 -9.198 -2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.439 -8.977 -3.538 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.267 -9.499 -0.101 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.513 -10.694 0.275 1.00 0.00 H new ATOM 1073 N THR A 70 2.174 -6.210 -2.079 1.00 0.00 N ATOM 1074 CA THR A 70 0.673 -6.351 -2.118 1.00 0.00 C ATOM 1075 C THR A 70 0.081 -5.474 -3.238 1.00 0.00 C ATOM 1076 O THR A 70 -0.929 -5.823 -3.819 1.00 0.00 O ATOM 1077 CB THR A 70 0.128 -5.940 -0.735 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.282 -6.114 -0.719 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.460 -4.479 -0.433 1.00 0.00 C ATOM 0 H THR A 70 2.551 -5.746 -1.253 1.00 0.00 H new ATOM 0 HA THR A 70 0.388 -7.380 -2.335 1.00 0.00 H new ATOM 0 HB THR A 70 0.594 -6.567 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.634 -5.856 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.066 -4.211 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.541 -4.343 -0.439 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.010 -3.839 -1.192 1.00 0.00 H new ATOM 1087 N ALA A 71 0.705 -4.357 -3.573 1.00 0.00 N ATOM 1088 CA ALA A 71 0.154 -3.509 -4.690 1.00 0.00 C ATOM 1089 C ALA A 71 0.363 -4.238 -6.031 1.00 0.00 C ATOM 1090 O ALA A 71 -0.469 -4.158 -6.914 1.00 0.00 O ATOM 1091 CB ALA A 71 0.929 -2.179 -4.680 1.00 0.00 C ATOM 0 H ALA A 71 1.554 -4.004 -3.131 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.913 -3.326 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.558 -1.535 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.789 -1.684 -3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.990 -2.375 -4.836 1.00 0.00 H new ATOM 1097 N PHE A 72 1.458 -4.965 -6.187 1.00 0.00 N ATOM 1098 CA PHE A 72 1.682 -5.707 -7.479 1.00 0.00 C ATOM 1099 C PHE A 72 0.620 -6.805 -7.607 1.00 0.00 C ATOM 1100 O PHE A 72 -0.043 -6.915 -8.621 1.00 0.00 O ATOM 1101 CB PHE A 72 3.087 -6.330 -7.400 1.00 0.00 C ATOM 1102 CG PHE A 72 4.124 -5.326 -7.851 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.157 -4.041 -7.292 1.00 0.00 C ATOM 1104 CD2 PHE A 72 5.059 -5.684 -8.831 1.00 0.00 C ATOM 1105 CE1 PHE A 72 5.121 -3.120 -7.711 1.00 0.00 C ATOM 1106 CE2 PHE A 72 6.021 -4.759 -9.250 1.00 0.00 C ATOM 1107 CZ PHE A 72 6.050 -3.478 -8.690 1.00 0.00 C ATOM 0 H PHE A 72 2.192 -5.074 -5.487 1.00 0.00 H new ATOM 0 HA PHE A 72 1.607 -5.048 -8.344 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.296 -6.647 -6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.135 -7.221 -8.026 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.437 -3.762 -6.537 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.037 -6.674 -9.263 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.147 -2.131 -7.277 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.741 -5.034 -10.006 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.792 -2.764 -9.015 1.00 0.00 H new ATOM 1117 N PHE A 73 0.437 -7.610 -6.575 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.615 -8.687 -6.653 1.00 0.00 C ATOM 1119 C PHE A 73 -1.991 -8.033 -6.852 1.00 0.00 C ATOM 1120 O PHE A 73 -2.803 -8.516 -7.617 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.574 -9.448 -5.317 1.00 0.00 C ATOM 1122 CG PHE A 73 0.446 -10.558 -5.403 1.00 0.00 C ATOM 1123 CD1 PHE A 73 0.133 -11.746 -6.074 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.705 -10.399 -4.812 1.00 0.00 C ATOM 1125 CE1 PHE A 73 1.079 -12.775 -6.153 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.651 -11.427 -4.891 1.00 0.00 C ATOM 1127 CZ PHE A 73 2.338 -12.616 -5.562 1.00 0.00 C ATOM 0 H PHE A 73 0.959 -7.569 -5.700 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.435 -9.367 -7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.319 -8.767 -4.505 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.557 -9.860 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.838 -11.869 -6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.946 -9.482 -4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.837 -13.692 -6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.622 -11.304 -4.435 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.068 -13.410 -5.623 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.256 -6.923 -6.181 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.588 -6.241 -6.364 1.00 0.00 C ATOM 1139 C ALA A 74 -3.800 -5.891 -7.846 1.00 0.00 C ATOM 1140 O ALA A 74 -4.901 -5.984 -8.353 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.554 -4.959 -5.517 1.00 0.00 C ATOM 0 H ALA A 74 -1.619 -6.469 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.406 -6.891 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.502 -4.430 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.394 -5.218 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.742 -4.318 -5.860 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.753 -5.497 -8.554 1.00 0.00 N ATOM 1148 CA LEU A 75 -2.925 -5.156 -10.017 1.00 0.00 C ATOM 1149 C LEU A 75 -3.574 -6.336 -10.758 1.00 0.00 C ATOM 1150 O LEU A 75 -4.428 -6.146 -11.602 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.519 -4.876 -10.598 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.330 -3.372 -10.841 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -2.398 -2.857 -11.813 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -1.440 -2.617 -9.513 1.00 0.00 C ATOM 0 H LEU A 75 -1.805 -5.398 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.569 -4.285 -10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.755 -5.238 -9.910 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.390 -5.421 -11.533 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.344 -3.205 -11.274 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.255 -1.789 -11.978 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.312 -3.386 -12.762 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.388 -3.029 -11.390 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.305 -1.550 -9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.423 -2.791 -9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.670 -2.972 -8.828 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.189 -7.554 -10.435 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.815 -8.735 -11.126 1.00 0.00 C ATOM 1168 C GLU A 76 -5.263 -8.896 -10.644 1.00 0.00 C ATOM 1169 O GLU A 76 -6.151 -9.172 -11.429 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.982 -9.969 -10.747 1.00 0.00 C ATOM 1171 CG GLU A 76 -1.571 -9.829 -11.320 1.00 0.00 C ATOM 1172 CD GLU A 76 -1.556 -10.319 -12.770 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -2.058 -11.404 -13.013 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.043 -9.599 -13.612 1.00 0.00 O ATOM 0 H GLU A 76 -2.481 -7.779 -9.736 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.831 -8.604 -12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.937 -10.071 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.455 -10.872 -11.133 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.250 -8.788 -11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.866 -10.407 -10.723 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.514 -8.709 -9.364 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.925 -8.838 -8.857 1.00 0.00 C ATOM 1183 C ALA A 77 -7.784 -7.697 -9.423 1.00 0.00 C ATOM 1184 O ALA A 77 -8.930 -7.903 -9.779 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.861 -8.749 -7.324 1.00 0.00 C ATOM 0 H ALA A 77 -4.815 -8.476 -8.658 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.372 -9.782 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.866 -8.838 -6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.238 -9.556 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.433 -7.790 -7.033 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.241 -6.499 -9.524 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.054 -5.364 -10.088 1.00 0.00 C ATOM 1193 C LEU A 78 -8.401 -5.659 -11.556 1.00 0.00 C ATOM 1194 O LEU A 78 -9.499 -5.383 -12.001 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.185 -4.099 -9.991 1.00 0.00 C ATOM 1196 CG LEU A 78 -6.931 -3.767 -8.520 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -5.636 -2.963 -8.393 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.099 -2.940 -7.975 1.00 0.00 C ATOM 0 H LEU A 78 -6.289 -6.261 -9.246 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.987 -5.233 -9.539 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.238 -4.255 -10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.684 -3.264 -10.483 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.841 -4.692 -7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.456 -2.727 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.804 -3.550 -8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.724 -2.038 -8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.919 -2.703 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.188 -2.016 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.023 -3.512 -8.064 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.478 -6.224 -12.314 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.788 -6.532 -13.758 1.00 0.00 C ATOM 1212 C GLN A 79 -9.001 -7.474 -13.862 1.00 0.00 C ATOM 1213 O GLN A 79 -9.766 -7.392 -14.807 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.540 -7.213 -14.345 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.516 -6.148 -14.740 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.100 -6.719 -14.591 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -3.907 -7.915 -14.692 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.091 -5.915 -14.356 1.00 0.00 N ATOM 0 H GLN A 79 -6.541 -6.481 -12.003 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.033 -5.620 -14.303 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.107 -7.895 -13.614 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.814 -7.810 -15.215 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.685 -5.830 -15.769 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.632 -5.266 -14.110 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.248 -4.911 -14.271 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.149 -6.294 -14.259 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.192 -8.368 -12.910 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.372 -9.300 -12.990 1.00 0.00 C ATOM 1229 C GLN A 80 -11.631 -8.611 -12.447 1.00 0.00 C ATOM 1230 O GLN A 80 -12.654 -8.579 -13.107 1.00 0.00 O ATOM 1231 CB GLN A 80 -10.021 -10.525 -12.132 1.00 0.00 C ATOM 1232 CG GLN A 80 -9.142 -11.482 -12.941 1.00 0.00 C ATOM 1233 CD GLN A 80 -7.666 -11.120 -12.734 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -7.071 -11.509 -11.750 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -7.042 -10.386 -13.623 1.00 0.00 N ATOM 0 H GLN A 80 -8.592 -8.491 -12.094 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.577 -9.589 -14.021 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.499 -10.211 -11.228 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.932 -11.032 -11.814 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.322 -12.510 -12.628 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.397 -11.421 -13.999 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.538 -10.057 -14.451 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.061 -10.144 -13.486 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.570 -8.058 -11.256 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.768 -7.373 -10.686 1.00 0.00 C ATOM 1246 C GLY A 81 -12.887 -7.695 -9.189 1.00 0.00 C ATOM 1247 O GLY A 81 -13.667 -8.542 -8.796 1.00 0.00 O ATOM 0 H GLY A 81 -10.743 -8.053 -10.659 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.686 -6.296 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.667 -7.697 -11.210 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.125 -7.024 -8.347 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.210 -7.298 -6.880 1.00 0.00 C ATOM 1253 C GLU A 82 -12.743 -6.058 -6.143 1.00 0.00 C ATOM 1254 O GLU A 82 -12.970 -5.028 -6.751 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.775 -7.604 -6.446 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.562 -9.120 -6.414 1.00 0.00 C ATOM 1257 CD GLU A 82 -10.986 -9.666 -5.050 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -12.070 -9.323 -4.607 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -10.219 -10.419 -4.471 1.00 0.00 O ATOM 0 H GLU A 82 -11.454 -6.304 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.886 -8.122 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.069 -7.142 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.583 -7.178 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.142 -9.596 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.514 -9.355 -6.602 1.00 0.00 H new ATOM 1266 N SER A 83 -12.945 -6.142 -4.843 1.00 0.00 N ATOM 1267 CA SER A 83 -13.462 -4.958 -4.091 1.00 0.00 C ATOM 1268 C SER A 83 -12.415 -4.464 -3.083 1.00 0.00 C ATOM 1269 O SER A 83 -11.784 -5.252 -2.402 1.00 0.00 O ATOM 1270 CB SER A 83 -14.707 -5.457 -3.359 1.00 0.00 C ATOM 1271 OG SER A 83 -15.762 -5.637 -4.295 1.00 0.00 O ATOM 0 H SER A 83 -12.774 -6.975 -4.279 1.00 0.00 H new ATOM 0 HA SER A 83 -13.685 -4.123 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.492 -6.397 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.004 -4.741 -2.593 1.00 0.00 H new ATOM 0 HG SER A 83 -16.562 -5.959 -3.829 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.226 -3.164 -2.975 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.217 -2.633 -1.998 1.00 0.00 C ATOM 1279 C ALA A 84 -11.902 -2.171 -0.692 1.00 0.00 C ATOM 1280 O ALA A 84 -11.331 -2.289 0.375 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.532 -1.449 -2.699 1.00 0.00 C ATOM 0 H ALA A 84 -12.722 -2.456 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.497 -3.402 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.783 -1.017 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.050 -1.796 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.277 -0.692 -2.946 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.115 -1.647 -0.757 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.802 -1.184 0.508 1.00 0.00 C ATOM 1289 C GLU A 85 -13.859 -2.320 1.542 1.00 0.00 C ATOM 1290 O GLU A 85 -13.704 -2.088 2.726 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.226 -0.762 0.111 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.175 0.574 -0.633 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.313 0.635 -1.653 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -16.512 -0.347 -2.349 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -16.967 1.663 -1.720 1.00 0.00 O ATOM 0 H GLU A 85 -13.651 -1.521 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.256 -0.357 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.680 -1.525 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.851 -0.672 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.262 1.399 0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.215 0.685 -1.137 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.078 -3.544 1.109 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.138 -4.685 2.097 1.00 0.00 C ATOM 1304 C ASN A 86 -12.822 -4.772 2.887 1.00 0.00 C ATOM 1305 O ASN A 86 -12.831 -5.058 4.070 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.351 -5.971 1.281 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.852 -6.178 1.035 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.519 -6.822 1.820 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.418 -5.659 -0.027 1.00 0.00 N ATOM 0 H ASN A 86 -14.216 -3.803 0.132 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.946 -4.538 2.813 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.822 -5.903 0.331 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.938 -6.826 1.816 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.415 -5.796 -0.192 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.861 -5.118 -0.688 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.693 -4.520 2.255 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.393 -4.586 3.012 1.00 0.00 C ATOM 1318 C ILE A 87 -10.362 -3.476 4.081 1.00 0.00 C ATOM 1319 O ILE A 87 -9.858 -3.682 5.169 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.263 -4.392 1.981 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.284 -5.549 0.977 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.907 -4.375 2.692 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.572 -5.126 -0.311 1.00 0.00 C ATOM 0 H ILE A 87 -11.615 -4.276 1.268 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.275 -5.541 3.525 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.414 -3.446 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.794 -6.424 1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.313 -5.835 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.113 -4.238 1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.883 -3.555 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.758 -5.320 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.588 -5.951 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.081 -4.264 -0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.539 -4.862 -0.086 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.899 -2.303 3.791 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.888 -1.203 4.826 1.00 0.00 C ATOM 1337 C VAL A 88 -11.629 -1.665 6.091 1.00 0.00 C ATOM 1338 O VAL A 88 -11.220 -1.355 7.194 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.596 0.015 4.204 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.629 1.167 5.212 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.830 0.464 2.960 1.00 0.00 C ATOM 0 H VAL A 88 -11.336 -2.063 2.901 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.868 -0.947 5.112 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.615 -0.262 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.131 2.026 4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.170 0.854 6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.610 1.443 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.329 1.326 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.812 0.737 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.802 -0.350 2.236 1.00 0.00 H new ATOM 1351 N SER A 89 -12.709 -2.412 5.950 1.00 0.00 N ATOM 1352 CA SER A 89 -13.451 -2.889 7.178 1.00 0.00 C ATOM 1353 C SER A 89 -12.483 -3.646 8.100 1.00 0.00 C ATOM 1354 O SER A 89 -12.502 -3.468 9.304 1.00 0.00 O ATOM 1355 CB SER A 89 -14.564 -3.830 6.690 1.00 0.00 C ATOM 1356 OG SER A 89 -13.981 -5.024 6.185 1.00 0.00 O ATOM 0 H SER A 89 -13.104 -2.708 5.057 1.00 0.00 H new ATOM 0 HA SER A 89 -13.871 -2.054 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.245 -4.062 7.509 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.154 -3.343 5.913 1.00 0.00 H new ATOM 0 HG SER A 89 -13.806 -4.922 5.226 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.618 -4.470 7.542 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.633 -5.209 8.409 1.00 0.00 C ATOM 1364 C LYS A 90 -9.610 -4.219 8.989 1.00 0.00 C ATOM 1365 O LYS A 90 -9.182 -4.366 10.120 1.00 0.00 O ATOM 1366 CB LYS A 90 -9.931 -6.239 7.510 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.111 -7.198 8.376 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.053 -8.058 9.220 1.00 0.00 C ATOM 1369 CE LYS A 90 -9.287 -9.261 9.775 1.00 0.00 C ATOM 1370 NZ LYS A 90 -10.329 -10.129 10.392 1.00 0.00 N ATOM 0 H LYS A 90 -11.551 -4.661 6.542 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.131 -5.703 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.669 -6.795 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.282 -5.732 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.489 -7.833 7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.438 -6.635 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.466 -7.468 10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.894 -8.397 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.752 -9.787 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.545 -8.951 10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.881 -10.976 10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.817 -9.604 11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.018 -10.414 9.667 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.223 -3.202 8.240 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.237 -2.210 8.794 1.00 0.00 C ATOM 1386 C ILE A 91 -8.921 -1.356 9.871 1.00 0.00 C ATOM 1387 O ILE A 91 -8.330 -1.056 10.890 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.770 -1.330 7.614 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.098 -2.203 6.540 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.768 -0.285 8.111 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.930 -2.989 7.152 1.00 0.00 C ATOM 0 H ILE A 91 -9.541 -3.020 7.288 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.384 -2.709 9.254 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.638 -0.830 7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.826 -2.893 6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.737 -1.576 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.442 0.333 7.274 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.242 0.344 8.864 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.905 -0.787 8.549 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.462 -3.603 6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.196 -2.293 7.557 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.302 -3.630 7.951 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.166 -0.973 9.664 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.867 -0.147 10.709 1.00 0.00 C ATOM 1405 C ARG A 92 -10.980 -0.949 12.012 1.00 0.00 C ATOM 1406 O ARG A 92 -10.829 -0.401 13.089 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.264 0.183 10.159 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.193 1.462 9.320 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.605 1.879 8.903 1.00 0.00 C ATOM 1410 NE ARG A 92 -14.038 2.858 9.938 1.00 0.00 N ATOM 1411 CZ ARG A 92 -13.837 4.134 9.754 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -14.268 4.712 8.667 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -13.204 4.831 10.657 1.00 0.00 N ATOM 0 H ARG A 92 -10.717 -1.191 8.834 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.315 0.768 10.925 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.632 -0.644 9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.969 0.313 10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.721 2.260 9.894 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.576 1.296 8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.607 2.328 7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.276 1.021 8.866 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.492 2.531 10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.762 4.166 7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.111 5.710 8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.866 4.378 11.506 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.047 5.829 10.514 1.00 0.00 H new ATOM 1427 N MET A 93 -11.230 -2.241 11.932 1.00 0.00 N ATOM 1428 CA MET A 93 -11.327 -3.053 13.196 1.00 0.00 C ATOM 1429 C MET A 93 -9.929 -3.223 13.802 1.00 0.00 C ATOM 1430 O MET A 93 -9.757 -3.133 15.003 1.00 0.00 O ATOM 1431 CB MET A 93 -11.917 -4.419 12.808 1.00 0.00 C ATOM 1432 CG MET A 93 -12.143 -5.254 14.069 1.00 0.00 C ATOM 1433 SD MET A 93 -13.313 -6.587 13.707 1.00 0.00 S ATOM 1434 CE MET A 93 -14.500 -6.211 15.021 1.00 0.00 C ATOM 0 H MET A 93 -11.369 -2.760 11.065 1.00 0.00 H new ATOM 0 HA MET A 93 -11.958 -2.563 13.938 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.858 -4.282 12.276 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.241 -4.940 12.130 1.00 0.00 H new ATOM 0 HG2 MET A 93 -11.198 -5.670 14.417 1.00 0.00 H new ATOM 0 HG3 MET A 93 -12.529 -4.624 14.871 1.00 0.00 H new ATOM 0 HE1 MET A 93 -15.323 -6.925 14.983 1.00 0.00 H new ATOM 0 HE2 MET A 93 -14.004 -6.279 15.989 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.889 -5.202 14.882 1.00 0.00 H new ATOM 1444 N MET A 94 -8.922 -3.448 12.982 1.00 0.00 N ATOM 1445 CA MET A 94 -7.532 -3.596 13.538 1.00 0.00 C ATOM 1446 C MET A 94 -7.023 -2.230 14.014 1.00 0.00 C ATOM 1447 O MET A 94 -6.380 -2.132 15.043 1.00 0.00 O ATOM 1448 CB MET A 94 -6.648 -4.134 12.401 1.00 0.00 C ATOM 1449 CG MET A 94 -5.413 -4.817 12.993 1.00 0.00 C ATOM 1450 SD MET A 94 -4.095 -3.597 13.211 1.00 0.00 S ATOM 1451 CE MET A 94 -3.414 -4.271 14.746 1.00 0.00 C ATOM 0 H MET A 94 -9.000 -3.534 11.969 1.00 0.00 H new ATOM 0 HA MET A 94 -7.514 -4.277 14.389 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.211 -4.841 11.792 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.346 -3.318 11.744 1.00 0.00 H new ATOM 0 HG2 MET A 94 -5.661 -5.275 13.951 1.00 0.00 H new ATOM 0 HG3 MET A 94 -5.077 -5.618 12.335 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.571 -3.660 15.069 1.00 0.00 H new ATOM 0 HE2 MET A 94 -4.183 -4.266 15.518 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.077 -5.293 14.576 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.317 -1.167 13.289 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.851 0.189 13.744 1.00 0.00 C ATOM 1463 C ASN A 95 -7.642 0.607 14.992 1.00 0.00 C ATOM 1464 O ASN A 95 -7.094 1.202 15.901 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.109 1.169 12.587 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.880 1.212 11.667 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.676 0.249 10.799 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.094 2.136 11.736 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.849 -1.179 12.419 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.792 0.181 14.002 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.988 0.858 12.023 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.318 2.164 12.979 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.248 2.887 12.409 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.281 2.161 11.121 1.00 0.00 H new