USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 693 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 17 THR OG1 : rot 180:sc= -0.571 USER MOD Set 1.2: A 32 TYR OH : rot -15:sc= -0.819 USER MOD Single : A 5 THR OG1 : rot 33:sc= 0.29 USER MOD Single : A 7 GLN : amide:sc= -0.639 X(o=-0.64,f=-0.21) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0539) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.519 K(o=-0.52,f=-4.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -4.71! C(o=-4.7!,f=-4.6!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.188 X(o=-0.19,f=0.034) USER MOD Single : A 44 LYS NZ :NH3+ -114:sc= -0.111 (180deg=-0.771) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.059) USER MOD Single : A 49 SER OG : rot -86:sc= 0.123 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 131:sc= -0.142 (180deg=-0.999) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 68:sc= 0.0712 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 63 TYR OH : rot 110:sc= -0.27 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 SER OG : rot 110:sc= 0.33 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -10.210 -8.024 8.344 1.00 70.40 N ATOM 2 CA THR A 5 -9.254 -7.046 7.849 1.00 5.52 C ATOM 3 C THR A 5 -8.489 -7.595 6.649 1.00 51.10 C ATOM 4 O THR A 5 -8.095 -6.845 5.756 1.00 24.10 O ATOM 5 CB THR A 5 -8.276 -6.656 8.958 1.00 12.20 C ATOM 6 OG1 THR A 5 -8.964 -6.416 10.172 1.00 50.00 O ATOM 7 CG2 THR A 5 -7.468 -5.417 8.635 1.00 31.40 C ATOM 0 HA THR A 5 -9.805 -6.161 7.531 1.00 5.52 H new ATOM 0 HB THR A 5 -7.594 -7.501 9.052 1.00 12.20 H new ATOM 0 HG1 THR A 5 -9.742 -7.009 10.230 1.00 50.00 H new ATOM 0 HG21 THR A 5 -6.794 -5.196 9.463 1.00 31.40 H new ATOM 0 HG22 THR A 5 -6.886 -5.588 7.729 1.00 31.40 H new ATOM 0 HG23 THR A 5 -8.141 -4.574 8.480 1.00 31.40 H new ATOM 15 N LEU A 6 -8.281 -8.907 6.636 1.00 72.10 N ATOM 16 CA LEU A 6 -7.562 -9.557 5.546 1.00 40.30 C ATOM 17 C LEU A 6 -8.327 -9.421 4.234 1.00 62.40 C ATOM 18 O LEU A 6 -7.744 -9.122 3.192 1.00 60.20 O ATOM 19 CB LEU A 6 -7.334 -11.030 5.867 1.00 21.10 C ATOM 20 CG LEU A 6 -6.065 -11.330 6.666 1.00 60.10 C ATOM 21 CD1 LEU A 6 -4.828 -11.060 5.824 1.00 12.20 C ATOM 22 CD2 LEU A 6 -6.034 -10.510 7.944 1.00 22.30 C ATOM 0 H LEU A 6 -8.600 -9.542 7.368 1.00 72.10 H new ATOM 0 HA LEU A 6 -6.596 -9.064 5.435 1.00 40.30 H new ATOM 0 HB2 LEU A 6 -8.193 -11.401 6.426 1.00 21.10 H new ATOM 0 HB3 LEU A 6 -7.296 -11.588 4.932 1.00 21.10 H new ATOM 0 HG LEU A 6 -6.070 -12.386 6.937 1.00 60.10 H new ATOM 0 HD11 LEU A 6 -3.935 -11.279 6.409 1.00 12.20 H new ATOM 0 HD12 LEU A 6 -4.846 -11.694 4.938 1.00 12.20 H new ATOM 0 HD13 LEU A 6 -4.816 -10.013 5.521 1.00 12.20 H new ATOM 0 HD21 LEU A 6 -5.124 -10.737 8.500 1.00 22.30 H new ATOM 0 HD22 LEU A 6 -6.053 -9.449 7.696 1.00 22.30 H new ATOM 0 HD23 LEU A 6 -6.903 -10.755 8.555 1.00 22.30 H new ATOM 34 N GLN A 7 -9.637 -9.643 4.292 1.00 30.40 N ATOM 35 CA GLN A 7 -10.480 -9.545 3.108 1.00 32.00 C ATOM 36 C GLN A 7 -10.420 -8.143 2.510 1.00 4.53 C ATOM 37 O GLN A 7 -10.540 -7.968 1.298 1.00 43.40 O ATOM 38 CB GLN A 7 -11.920 -9.902 3.457 1.00 14.30 C ATOM 39 CG GLN A 7 -12.740 -10.360 2.262 1.00 12.40 C ATOM 40 CD GLN A 7 -12.320 -11.730 1.767 1.00 41.10 C ATOM 41 OE1 GLN A 7 -12.880 -12.750 2.178 1.00 21.10 O ATOM 42 NE2 GLN A 7 -11.340 -11.770 0.880 1.00 14.40 N ATOM 0 H GLN A 7 -10.136 -9.892 5.146 1.00 30.40 H new ATOM 0 HA GLN A 7 -10.107 -10.251 2.366 1.00 32.00 H new ATOM 0 HB2 GLN A 7 -11.918 -10.691 4.209 1.00 14.30 H new ATOM 0 HB3 GLN A 7 -12.402 -9.034 3.907 1.00 14.30 H new ATOM 0 HG2 GLN A 7 -13.795 -10.383 2.535 1.00 12.40 H new ATOM 0 HG3 GLN A 7 -12.636 -9.636 1.454 1.00 12.40 H new ATOM 0 HE21 GLN A 7 -10.902 -10.905 0.565 1.00 14.40 H new ATOM 0 HE22 GLN A 7 -11.022 -12.666 0.511 1.00 14.40 H new ATOM 51 N LYS A 8 -10.230 -7.147 3.370 1.00 55.10 N ATOM 52 CA LYS A 8 -10.150 -5.760 2.927 1.00 51.30 C ATOM 53 C LYS A 8 -8.790 -5.454 2.327 1.00 75.20 C ATOM 54 O LYS A 8 -8.669 -4.635 1.416 1.00 64.40 O ATOM 55 CB LYS A 8 -10.430 -4.813 4.095 1.00 71.00 C ATOM 56 CG LYS A 8 -11.910 -4.575 4.343 1.00 11.00 C ATOM 57 CD LYS A 8 -12.520 -3.682 3.273 1.00 23.50 C ATOM 58 CE LYS A 8 -13.970 -4.053 2.994 1.00 20.40 C ATOM 59 NZ LYS A 8 -14.330 -3.846 1.564 1.00 62.50 N ATOM 0 H LYS A 8 -10.129 -7.275 4.377 1.00 55.10 H new ATOM 0 HA LYS A 8 -10.905 -5.610 2.156 1.00 51.30 H new ATOM 0 HB2 LYS A 8 -9.980 -5.222 4.999 1.00 71.00 H new ATOM 0 HB3 LYS A 8 -9.944 -3.857 3.901 1.00 71.00 H new ATOM 0 HG2 LYS A 8 -12.434 -5.530 4.363 1.00 11.00 H new ATOM 0 HG3 LYS A 8 -12.046 -4.116 5.322 1.00 11.00 H new ATOM 0 HD2 LYS A 8 -12.465 -2.641 3.592 1.00 23.50 H new ATOM 0 HD3 LYS A 8 -11.939 -3.765 2.354 1.00 23.50 H new ATOM 0 HE2 LYS A 8 -14.136 -5.096 3.263 1.00 20.40 H new ATOM 0 HE3 LYS A 8 -14.626 -3.453 3.624 1.00 20.40 H new ATOM 0 HZ1 LYS A 8 -15.325 -4.110 1.415 1.00 62.50 H new ATOM 0 HZ2 LYS A 8 -14.196 -2.846 1.314 1.00 62.50 H new ATOM 0 HZ3 LYS A 8 -13.721 -4.438 0.964 1.00 62.50 H new ATOM 73 N ALA A 9 -7.761 -6.117 2.845 1.00 45.10 N ATOM 74 CA ALA A 9 -6.401 -5.916 2.361 1.00 1.41 C ATOM 75 C ALA A 9 -6.232 -6.473 0.951 1.00 22.10 C ATOM 76 O ALA A 9 -5.533 -5.890 0.122 1.00 53.30 O ATOM 77 CB ALA A 9 -5.402 -6.563 3.309 1.00 2.00 C ATOM 0 H ALA A 9 -7.844 -6.798 3.600 1.00 45.10 H new ATOM 0 HA ALA A 9 -6.209 -4.844 2.325 1.00 1.41 H new ATOM 0 HB1 ALA A 9 -4.390 -6.405 2.935 1.00 2.00 H new ATOM 0 HB2 ALA A 9 -5.497 -6.116 4.298 1.00 2.00 H new ATOM 0 HB3 ALA A 9 -5.602 -7.633 3.374 1.00 2.00 H new ATOM 83 N ILE A 10 -6.876 -7.605 0.686 1.00 2.03 N ATOM 84 CA ILE A 10 -6.797 -8.240 -0.623 1.00 53.50 C ATOM 85 C ILE A 10 -7.687 -7.526 -1.635 1.00 12.50 C ATOM 86 O ILE A 10 -7.260 -7.225 -2.750 1.00 41.20 O ATOM 87 CB ILE A 10 -7.207 -9.724 -0.555 1.00 53.40 C ATOM 88 CG1 ILE A 10 -6.473 -10.420 0.589 1.00 43.00 C ATOM 89 CG2 ILE A 10 -6.920 -10.410 -1.879 1.00 12.20 C ATOM 90 CD1 ILE A 10 -7.091 -11.750 0.980 1.00 4.14 C ATOM 0 H ILE A 10 -7.458 -8.101 1.361 1.00 2.03 H new ATOM 0 HA ILE A 10 -5.758 -8.172 -0.944 1.00 53.50 H new ATOM 0 HB ILE A 10 -8.278 -9.787 -0.364 1.00 53.40 H new ATOM 0 HG12 ILE A 10 -5.434 -10.581 0.300 1.00 43.00 H new ATOM 0 HG13 ILE A 10 -6.464 -9.762 1.458 1.00 43.00 H new ATOM 0 HG21 ILE A 10 -7.214 -11.458 -1.817 1.00 12.20 H new ATOM 0 HG22 ILE A 10 -7.485 -9.921 -2.672 1.00 12.20 H new ATOM 0 HG23 ILE A 10 -5.854 -10.345 -2.099 1.00 12.20 H new ATOM 0 HD11 ILE A 10 -6.520 -12.190 1.798 1.00 4.14 H new ATOM 0 HD12 ILE A 10 -8.121 -11.593 1.300 1.00 4.14 H new ATOM 0 HD13 ILE A 10 -7.076 -12.424 0.123 1.00 4.14 H new ATOM 102 N ASP A 11 -8.927 -7.257 -1.239 1.00 73.10 N ATOM 103 CA ASP A 11 -9.878 -6.578 -2.111 1.00 22.40 C ATOM 104 C ASP A 11 -9.362 -5.199 -2.510 1.00 45.20 C ATOM 105 O ASP A 11 -9.651 -4.710 -3.602 1.00 70.40 O ATOM 106 CB ASP A 11 -11.230 -6.447 -1.417 1.00 72.40 C ATOM 107 CG ASP A 11 -12.390 -6.569 -2.386 1.00 22.40 C ATOM 108 OD1 ASP A 11 -12.330 -5.950 -3.469 1.00 62.20 O ATOM 109 OD2 ASP A 11 -13.360 -7.283 -2.062 1.00 35.10 O ATOM 0 H ASP A 11 -9.297 -7.499 -0.320 1.00 73.10 H new ATOM 0 HA ASP A 11 -9.997 -7.176 -3.014 1.00 22.40 H new ATOM 0 HB2 ASP A 11 -11.318 -7.217 -0.650 1.00 72.40 H new ATOM 0 HB3 ASP A 11 -11.283 -5.484 -0.910 1.00 72.40 H new ATOM 114 N LEU A 12 -8.598 -4.578 -1.618 1.00 64.00 N ATOM 115 CA LEU A 12 -8.043 -3.255 -1.877 1.00 35.30 C ATOM 116 C LEU A 12 -6.910 -3.331 -2.896 1.00 10.40 C ATOM 117 O LEU A 12 -6.935 -2.647 -3.919 1.00 24.00 O ATOM 118 CB LEU A 12 -7.534 -2.629 -0.577 1.00 11.40 C ATOM 119 CG LEU A 12 -8.621 -2.062 0.337 1.00 21.50 C ATOM 120 CD1 LEU A 12 -8.118 -1.965 1.769 1.00 62.20 C ATOM 121 CD2 LEU A 12 -9.079 -0.700 -0.162 1.00 62.20 C ATOM 0 H LEU A 12 -8.349 -4.970 -0.710 1.00 64.00 H new ATOM 0 HA LEU A 12 -8.836 -2.629 -2.287 1.00 35.30 H new ATOM 0 HB2 LEU A 12 -6.972 -3.382 -0.024 1.00 11.40 H new ATOM 0 HB3 LEU A 12 -6.836 -1.830 -0.825 1.00 11.40 H new ATOM 0 HG LEU A 12 -9.474 -2.740 0.319 1.00 21.50 H new ATOM 0 HD11 LEU A 12 -8.905 -1.559 2.404 1.00 62.20 H new ATOM 0 HD12 LEU A 12 -7.839 -2.957 2.125 1.00 62.20 H new ATOM 0 HD13 LEU A 12 -7.248 -1.309 1.805 1.00 62.20 H new ATOM 0 HD21 LEU A 12 -9.853 -0.311 0.500 1.00 62.20 H new ATOM 0 HD22 LEU A 12 -8.233 -0.013 -0.174 1.00 62.20 H new ATOM 0 HD23 LEU A 12 -9.480 -0.798 -1.171 1.00 62.20 H new ATOM 133 N VAL A 13 -5.917 -4.166 -2.609 1.00 23.40 N ATOM 134 CA VAL A 13 -4.776 -4.332 -3.499 1.00 12.40 C ATOM 135 C VAL A 13 -5.217 -4.834 -4.871 1.00 11.40 C ATOM 136 O VAL A 13 -4.678 -4.421 -5.897 1.00 13.40 O ATOM 137 CB VAL A 13 -3.741 -5.310 -2.908 1.00 31.50 C ATOM 138 CG1 VAL A 13 -4.349 -6.693 -2.730 1.00 24.40 C ATOM 139 CG2 VAL A 13 -2.501 -5.373 -3.787 1.00 63.10 C ATOM 0 H VAL A 13 -5.880 -4.739 -1.766 1.00 23.40 H new ATOM 0 HA VAL A 13 -4.313 -3.351 -3.609 1.00 12.40 H new ATOM 0 HB VAL A 13 -3.443 -4.942 -1.926 1.00 31.50 H new ATOM 0 HG11 VAL A 13 -3.602 -7.368 -2.312 1.00 24.40 H new ATOM 0 HG12 VAL A 13 -5.202 -6.631 -2.054 1.00 24.40 H new ATOM 0 HG13 VAL A 13 -4.680 -7.072 -3.697 1.00 24.40 H new ATOM 0 HG21 VAL A 13 -1.782 -6.068 -3.353 1.00 63.10 H new ATOM 0 HG22 VAL A 13 -2.779 -5.714 -4.784 1.00 63.10 H new ATOM 0 HG23 VAL A 13 -2.052 -4.382 -3.854 1.00 63.10 H new ATOM 149 N THR A 14 -6.201 -5.729 -4.880 1.00 64.00 N ATOM 150 CA THR A 14 -6.715 -6.288 -6.125 1.00 41.30 C ATOM 151 C THR A 14 -7.256 -5.188 -7.033 1.00 52.40 C ATOM 152 O THR A 14 -6.889 -5.100 -8.204 1.00 5.45 O ATOM 153 CB THR A 14 -7.813 -7.311 -5.834 1.00 12.10 C ATOM 154 OG1 THR A 14 -7.333 -8.333 -4.979 1.00 3.13 O ATOM 155 CG2 THR A 14 -8.359 -7.974 -7.080 1.00 73.50 C ATOM 0 H THR A 14 -6.658 -6.082 -4.039 1.00 64.00 H new ATOM 0 HA THR A 14 -5.892 -6.785 -6.638 1.00 41.30 H new ATOM 0 HB THR A 14 -8.616 -6.745 -5.361 1.00 12.10 H new ATOM 0 HG1 THR A 14 -7.575 -8.125 -4.052 1.00 3.13 H new ATOM 0 HG21 THR A 14 -9.134 -8.688 -6.802 1.00 73.50 H new ATOM 0 HG22 THR A 14 -8.783 -7.216 -7.739 1.00 73.50 H new ATOM 0 HG23 THR A 14 -7.554 -8.496 -7.597 1.00 73.50 H new ATOM 163 N LYS A 15 -8.129 -4.350 -6.483 1.00 53.10 N ATOM 164 CA LYS A 15 -8.719 -3.255 -7.243 1.00 33.30 C ATOM 165 C LYS A 15 -7.644 -2.285 -7.722 1.00 54.20 C ATOM 166 O LYS A 15 -7.756 -1.700 -8.799 1.00 44.30 O ATOM 167 CB LYS A 15 -9.751 -2.513 -6.391 1.00 4.33 C ATOM 168 CG LYS A 15 -11.170 -3.022 -6.577 1.00 75.40 C ATOM 169 CD LYS A 15 -11.890 -3.167 -5.247 1.00 50.20 C ATOM 170 CE LYS A 15 -13.360 -2.809 -5.369 1.00 54.40 C ATOM 171 NZ LYS A 15 -14.210 -4.009 -5.614 1.00 41.20 N ATOM 0 H LYS A 15 -8.443 -4.409 -5.514 1.00 53.10 H new ATOM 0 HA LYS A 15 -9.216 -3.677 -8.116 1.00 33.30 H new ATOM 0 HB2 LYS A 15 -9.476 -2.604 -5.340 1.00 4.33 H new ATOM 0 HB3 LYS A 15 -9.719 -1.452 -6.638 1.00 4.33 H new ATOM 0 HG2 LYS A 15 -11.723 -2.335 -7.218 1.00 75.40 H new ATOM 0 HG3 LYS A 15 -11.148 -3.985 -7.087 1.00 75.40 H new ATOM 0 HD2 LYS A 15 -11.792 -4.192 -4.889 1.00 50.20 H new ATOM 0 HD3 LYS A 15 -11.418 -2.524 -4.504 1.00 50.20 H new ATOM 0 HE2 LYS A 15 -13.689 -2.312 -4.456 1.00 54.40 H new ATOM 0 HE3 LYS A 15 -13.493 -2.098 -6.184 1.00 54.40 H new ATOM 0 HZ1 LYS A 15 -15.206 -3.719 -5.691 1.00 41.20 H new ATOM 0 HZ2 LYS A 15 -13.914 -4.469 -6.498 1.00 41.20 H new ATOM 0 HZ3 LYS A 15 -14.104 -4.677 -4.824 1.00 41.20 H new ATOM 185 N ALA A 16 -6.602 -2.119 -6.914 1.00 54.40 N ATOM 186 CA ALA A 16 -5.506 -1.221 -7.254 1.00 74.50 C ATOM 187 C ALA A 16 -4.722 -1.741 -8.454 1.00 11.20 C ATOM 188 O ALA A 16 -4.198 -0.963 -9.251 1.00 2.34 O ATOM 189 CB ALA A 16 -4.584 -1.037 -6.058 1.00 62.10 C ATOM 0 H ALA A 16 -6.494 -2.595 -6.019 1.00 54.40 H new ATOM 0 HA ALA A 16 -5.931 -0.254 -7.523 1.00 74.50 H new ATOM 0 HB1 ALA A 16 -3.770 -0.364 -6.326 1.00 62.10 H new ATOM 0 HB2 ALA A 16 -5.147 -0.612 -5.227 1.00 62.10 H new ATOM 0 HB3 ALA A 16 -4.174 -2.003 -5.763 1.00 62.10 H new ATOM 195 N THR A 17 -4.647 -3.063 -8.576 1.00 12.50 N ATOM 196 CA THR A 17 -3.927 -3.688 -9.679 1.00 45.10 C ATOM 197 C THR A 17 -4.613 -3.400 -11.010 1.00 70.20 C ATOM 198 O THR A 17 -3.972 -2.973 -11.970 1.00 21.10 O ATOM 199 CB THR A 17 -3.828 -5.199 -9.460 1.00 74.40 C ATOM 200 OG1 THR A 17 -3.978 -5.517 -8.088 1.00 23.40 O ATOM 201 CG2 THR A 17 -2.513 -5.787 -9.926 1.00 2.44 C ATOM 0 H THR A 17 -5.076 -3.721 -7.925 1.00 12.50 H new ATOM 0 HA THR A 17 -2.923 -3.265 -9.710 1.00 45.10 H new ATOM 0 HB THR A 17 -4.632 -5.631 -10.056 1.00 74.40 H new ATOM 0 HG1 THR A 17 -3.913 -6.487 -7.968 1.00 23.40 H new ATOM 0 HG21 THR A 17 -2.509 -6.861 -9.742 1.00 2.44 H new ATOM 0 HG22 THR A 17 -2.389 -5.602 -10.993 1.00 2.44 H new ATOM 0 HG23 THR A 17 -1.693 -5.322 -9.379 1.00 2.44 H new ATOM 209 N GLU A 18 -5.920 -3.635 -11.060 1.00 0.02 N ATOM 210 CA GLU A 18 -6.694 -3.400 -12.270 1.00 45.10 C ATOM 211 C GLU A 18 -6.614 -1.936 -12.690 1.00 13.50 C ATOM 212 O GLU A 18 -6.664 -1.619 -13.880 1.00 3.41 O ATOM 213 CB GLU A 18 -8.154 -3.801 -12.050 1.00 60.30 C ATOM 214 CG GLU A 18 -8.841 -3.026 -10.940 1.00 24.50 C ATOM 215 CD GLU A 18 -10.350 -3.090 -11.030 1.00 74.40 C ATOM 216 OE1 GLU A 18 -10.920 -4.152 -10.700 1.00 34.40 O ATOM 217 OE2 GLU A 18 -10.960 -2.080 -11.430 1.00 13.40 O ATOM 0 H GLU A 18 -6.465 -3.989 -10.274 1.00 0.02 H new ATOM 0 HA GLU A 18 -6.272 -4.011 -13.068 1.00 45.10 H new ATOM 0 HB2 GLU A 18 -8.706 -3.654 -12.979 1.00 60.30 H new ATOM 0 HB3 GLU A 18 -8.198 -4.865 -11.819 1.00 60.30 H new ATOM 0 HG2 GLU A 18 -8.522 -3.421 -9.976 1.00 24.50 H new ATOM 0 HG3 GLU A 18 -8.523 -1.984 -10.979 1.00 24.50 H new ATOM 224 N GLU A 19 -6.488 -1.049 -11.710 1.00 20.40 N ATOM 225 CA GLU A 19 -6.400 0.382 -11.980 1.00 22.10 C ATOM 226 C GLU A 19 -5.160 0.704 -12.810 1.00 41.30 C ATOM 227 O GLU A 19 -5.251 1.331 -13.860 1.00 11.10 O ATOM 228 CB GLU A 19 -6.373 1.169 -10.670 1.00 13.10 C ATOM 229 CG GLU A 19 -7.715 1.212 -9.961 1.00 64.10 C ATOM 230 CD GLU A 19 -8.720 2.104 -10.660 1.00 52.30 C ATOM 231 OE1 GLU A 19 -8.511 2.410 -11.850 1.00 21.30 O ATOM 232 OE2 GLU A 19 -9.717 2.495 -10.020 1.00 74.40 O ATOM 0 H GLU A 19 -6.444 -1.295 -10.721 1.00 20.40 H new ATOM 0 HA GLU A 19 -7.281 0.674 -12.551 1.00 22.10 H new ATOM 0 HB2 GLU A 19 -5.633 0.725 -10.004 1.00 13.10 H new ATOM 0 HB3 GLU A 19 -6.046 2.189 -10.875 1.00 13.10 H new ATOM 0 HG2 GLU A 19 -8.118 0.201 -9.894 1.00 64.10 H new ATOM 0 HG3 GLU A 19 -7.570 1.566 -8.940 1.00 64.10 H new ATOM 239 N ASP A 20 -4.001 0.269 -12.320 1.00 64.20 N ATOM 240 CA ASP A 20 -2.741 0.511 -13.020 1.00 65.40 C ATOM 241 C ASP A 20 -2.784 -0.051 -14.430 1.00 23.10 C ATOM 242 O ASP A 20 -2.138 0.475 -15.340 1.00 63.30 O ATOM 243 CB ASP A 20 -1.580 -0.115 -12.240 1.00 24.20 C ATOM 244 CG ASP A 20 -0.231 0.387 -12.720 1.00 73.00 C ATOM 245 OD1 ASP A 20 -0.090 0.653 -13.930 1.00 44.30 O ATOM 246 OD2 ASP A 20 0.685 0.513 -11.880 1.00 51.10 O ATOM 0 H ASP A 20 -3.908 -0.250 -11.447 1.00 64.20 H new ATOM 0 HA ASP A 20 -2.590 1.588 -13.088 1.00 65.40 H new ATOM 0 HB2 ASP A 20 -1.693 0.110 -11.180 1.00 24.20 H new ATOM 0 HB3 ASP A 20 -1.619 -1.200 -12.341 1.00 24.20 H new ATOM 251 N LYS A 21 -3.551 -1.121 -14.620 1.00 23.30 N ATOM 252 CA LYS A 21 -3.679 -1.754 -15.930 1.00 10.20 C ATOM 253 C LYS A 21 -4.624 -0.962 -16.830 1.00 54.20 C ATOM 254 O LYS A 21 -4.509 -1.004 -18.050 1.00 0.30 O ATOM 255 CB LYS A 21 -4.186 -3.189 -15.770 1.00 31.10 C ATOM 256 CG LYS A 21 -3.074 -4.213 -15.610 1.00 65.10 C ATOM 257 CD LYS A 21 -2.299 -3.998 -14.320 1.00 54.40 C ATOM 258 CE LYS A 21 -0.961 -4.719 -14.350 1.00 2.42 C ATOM 259 NZ LYS A 21 -1.049 -6.079 -13.750 1.00 63.20 N ATOM 0 H LYS A 21 -4.094 -1.569 -13.882 1.00 23.30 H new ATOM 0 HA LYS A 21 -2.695 -1.771 -16.400 1.00 10.20 H new ATOM 0 HB2 LYS A 21 -4.842 -3.239 -14.901 1.00 31.10 H new ATOM 0 HB3 LYS A 21 -4.788 -3.452 -16.640 1.00 31.10 H new ATOM 0 HG2 LYS A 21 -3.499 -5.217 -15.617 1.00 65.10 H new ATOM 0 HG3 LYS A 21 -2.394 -4.148 -16.459 1.00 65.10 H new ATOM 0 HD2 LYS A 21 -2.136 -2.931 -14.165 1.00 54.40 H new ATOM 0 HD3 LYS A 21 -2.888 -4.356 -13.476 1.00 54.40 H new ATOM 0 HE2 LYS A 21 -0.615 -4.799 -15.380 1.00 2.42 H new ATOM 0 HE3 LYS A 21 -0.220 -4.131 -13.809 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 -0.176 -6.606 -13.954 1.00 63.20 H new ATOM 0 HZ2 LYS A 21 -1.171 -5.997 -12.720 1.00 63.20 H new ATOM 0 HZ3 LYS A 21 -1.862 -6.585 -14.156 1.00 63.20 H new ATOM 273 N ALA A 22 -5.558 -0.241 -16.210 1.00 34.10 N ATOM 274 CA ALA A 22 -6.521 0.558 -16.960 1.00 21.50 C ATOM 275 C ALA A 22 -6.081 2.016 -17.050 1.00 44.00 C ATOM 276 O ALA A 22 -6.911 2.920 -17.140 1.00 22.10 O ATOM 277 CB ALA A 22 -7.898 0.458 -16.320 1.00 25.30 C ATOM 0 H ALA A 22 -5.666 -0.195 -15.197 1.00 34.10 H new ATOM 0 HA ALA A 22 -6.572 0.162 -17.974 1.00 21.50 H new ATOM 0 HB1 ALA A 22 -8.608 1.059 -16.889 1.00 25.30 H new ATOM 0 HB2 ALA A 22 -8.223 -0.582 -16.317 1.00 25.30 H new ATOM 0 HB3 ALA A 22 -7.850 0.826 -15.295 1.00 25.30 H new ATOM 283 N LYS A 23 -4.770 2.238 -17.020 1.00 63.20 N ATOM 284 CA LYS A 23 -4.222 3.587 -17.100 1.00 3.24 C ATOM 285 C LYS A 23 -4.739 4.456 -15.960 1.00 70.30 C ATOM 286 O LYS A 23 -5.016 5.641 -16.140 1.00 20.50 O ATOM 287 CB LYS A 23 -4.577 4.227 -18.440 1.00 33.30 C ATOM 288 CG LYS A 23 -4.280 3.337 -19.640 1.00 63.40 C ATOM 289 CD LYS A 23 -2.937 3.676 -20.270 1.00 43.30 C ATOM 290 CE LYS A 23 -1.788 3.045 -19.500 1.00 51.00 C ATOM 291 NZ LYS A 23 -0.524 3.048 -20.280 1.00 1.24 N ATOM 0 H LYS A 23 -4.069 1.502 -16.941 1.00 63.20 H new ATOM 0 HA LYS A 23 -3.138 3.513 -17.015 1.00 3.24 H new ATOM 0 HB2 LYS A 23 -5.637 4.483 -18.441 1.00 33.30 H new ATOM 0 HB3 LYS A 23 -4.024 5.160 -18.545 1.00 33.30 H new ATOM 0 HG2 LYS A 23 -4.283 2.292 -19.329 1.00 63.40 H new ATOM 0 HG3 LYS A 23 -5.070 3.451 -20.382 1.00 63.40 H new ATOM 0 HD2 LYS A 23 -2.920 3.328 -21.303 1.00 43.30 H new ATOM 0 HD3 LYS A 23 -2.809 4.758 -20.296 1.00 43.30 H new ATOM 0 HE2 LYS A 23 -1.638 3.586 -18.566 1.00 51.00 H new ATOM 0 HE3 LYS A 23 -2.048 2.020 -19.237 1.00 51.00 H new ATOM 0 HZ1 LYS A 23 0.232 2.609 -19.717 1.00 1.24 H new ATOM 0 HZ2 LYS A 23 -0.658 2.510 -21.160 1.00 1.24 H new ATOM 0 HZ3 LYS A 23 -0.260 4.027 -20.510 1.00 1.24 H new ATOM 305 N ASN A 24 -4.866 3.859 -14.780 1.00 64.10 N ATOM 306 CA ASN A 24 -5.349 4.580 -13.600 1.00 32.10 C ATOM 307 C ASN A 24 -4.336 4.507 -12.460 1.00 51.30 C ATOM 308 O ASN A 24 -4.476 3.699 -11.550 1.00 21.40 O ATOM 309 CB ASN A 24 -6.692 4.011 -13.140 1.00 62.20 C ATOM 310 CG ASN A 24 -7.840 4.451 -14.030 1.00 75.40 C ATOM 311 OD1 ASN A 24 -7.695 4.553 -15.250 1.00 21.10 O ATOM 312 ND2 ASN A 24 -8.990 4.716 -13.420 1.00 61.20 N ATOM 0 H ASN A 24 -4.642 2.878 -14.612 1.00 64.10 H new ATOM 0 HA ASN A 24 -5.481 5.626 -13.877 1.00 32.10 H new ATOM 0 HB2 ASN A 24 -6.639 2.922 -13.131 1.00 62.20 H new ATOM 0 HB3 ASN A 24 -6.887 4.329 -12.116 1.00 62.20 H new ATOM 0 HD21 ASN A 24 -9.798 5.017 -13.964 1.00 61.20 H new ATOM 0 HD22 ASN A 24 -9.065 4.618 -12.407 1.00 61.20 H new ATOM 319 N TYR A 25 -3.316 5.356 -12.530 1.00 32.40 N ATOM 320 CA TYR A 25 -2.279 5.388 -11.510 1.00 22.10 C ATOM 321 C TYR A 25 -2.755 6.149 -10.270 1.00 23.50 C ATOM 322 O TYR A 25 -2.486 5.746 -9.147 1.00 52.30 O ATOM 323 CB TYR A 25 -1.007 6.035 -12.060 1.00 0.14 C ATOM 324 CG TYR A 25 -0.583 5.486 -13.400 1.00 32.50 C ATOM 325 CD1 TYR A 25 -0.202 4.158 -13.540 1.00 2.20 C ATOM 326 CD2 TYR A 25 -0.565 6.297 -14.530 1.00 74.50 C ATOM 327 CE1 TYR A 25 0.187 3.653 -14.770 1.00 72.10 C ATOM 328 CE2 TYR A 25 -0.178 5.799 -15.760 1.00 53.10 C ATOM 329 CZ TYR A 25 0.196 4.477 -15.880 1.00 15.40 C ATOM 330 OH TYR A 25 0.582 3.978 -17.100 1.00 44.10 O ATOM 0 H TYR A 25 -3.187 6.031 -13.284 1.00 32.40 H new ATOM 0 HA TYR A 25 -2.059 4.360 -11.223 1.00 22.10 H new ATOM 0 HB2 TYR A 25 -1.165 7.110 -12.150 1.00 0.14 H new ATOM 0 HB3 TYR A 25 -0.197 5.891 -11.345 1.00 0.14 H new ATOM 0 HD1 TYR A 25 -0.209 3.509 -12.677 1.00 2.20 H new ATOM 0 HD2 TYR A 25 -0.858 7.333 -14.445 1.00 74.50 H new ATOM 0 HE1 TYR A 25 0.482 2.618 -14.861 1.00 72.10 H new ATOM 0 HE2 TYR A 25 -0.169 6.444 -16.626 1.00 53.10 H new ATOM 0 HH TYR A 25 0.531 4.687 -17.775 1.00 44.10 H new ATOM 340 N GLU A 26 -3.462 7.250 -10.500 1.00 62.20 N ATOM 341 CA GLU A 26 -3.976 8.067 -9.412 1.00 32.40 C ATOM 342 C GLU A 26 -4.966 7.279 -8.562 1.00 55.10 C ATOM 343 O GLU A 26 -5.029 7.450 -7.344 1.00 44.10 O ATOM 344 CB GLU A 26 -4.648 9.327 -9.961 1.00 41.10 C ATOM 345 CG GLU A 26 -4.526 10.532 -9.042 1.00 2.23 C ATOM 346 CD GLU A 26 -5.805 11.343 -8.971 1.00 72.30 C ATOM 347 OE1 GLU A 26 -6.541 11.379 -9.979 1.00 44.20 O ATOM 348 OE2 GLU A 26 -6.071 11.941 -7.908 1.00 24.20 O ATOM 0 H GLU A 26 -3.691 7.596 -11.432 1.00 62.20 H new ATOM 0 HA GLU A 26 -3.135 8.359 -8.784 1.00 32.40 H new ATOM 0 HB2 GLU A 26 -4.208 9.572 -10.928 1.00 41.10 H new ATOM 0 HB3 GLU A 26 -5.704 9.119 -10.135 1.00 41.10 H new ATOM 0 HG2 GLU A 26 -4.258 10.195 -8.041 1.00 2.23 H new ATOM 0 HG3 GLU A 26 -3.714 11.170 -9.392 1.00 2.23 H new ATOM 355 N GLU A 27 -5.739 6.414 -9.211 1.00 52.00 N ATOM 356 CA GLU A 27 -6.727 5.599 -8.515 1.00 35.30 C ATOM 357 C GLU A 27 -6.081 4.356 -7.912 1.00 50.30 C ATOM 358 O GLU A 27 -6.520 3.856 -6.876 1.00 10.30 O ATOM 359 CB GLU A 27 -7.849 5.191 -9.472 1.00 23.10 C ATOM 360 CG GLU A 27 -9.223 5.163 -8.823 1.00 23.20 C ATOM 361 CD GLU A 27 -9.754 6.550 -8.521 1.00 11.30 C ATOM 362 OE1 GLU A 27 -8.936 7.487 -8.407 1.00 43.40 O ATOM 363 OE2 GLU A 27 -10.980 6.700 -8.399 1.00 31.30 O ATOM 0 H GLU A 27 -5.700 6.260 -10.219 1.00 52.00 H new ATOM 0 HA GLU A 27 -7.148 6.196 -7.706 1.00 35.30 H new ATOM 0 HB2 GLU A 27 -7.868 5.884 -10.313 1.00 23.10 H new ATOM 0 HB3 GLU A 27 -7.628 4.204 -9.878 1.00 23.10 H new ATOM 0 HG2 GLU A 27 -9.921 4.646 -9.482 1.00 23.20 H new ATOM 0 HG3 GLU A 27 -9.172 4.588 -7.898 1.00 23.20 H new ATOM 370 N ALA A 28 -5.036 3.861 -8.567 1.00 52.10 N ATOM 371 CA ALA A 28 -4.330 2.676 -8.096 1.00 2.12 C ATOM 372 C ALA A 28 -3.557 2.970 -6.814 1.00 24.00 C ATOM 373 O ALA A 28 -3.535 2.157 -5.890 1.00 24.10 O ATOM 374 CB ALA A 28 -3.390 2.158 -9.174 1.00 30.10 C ATOM 0 H ALA A 28 -4.660 4.263 -9.426 1.00 52.10 H new ATOM 0 HA ALA A 28 -5.070 1.907 -7.875 1.00 2.12 H new ATOM 0 HB1 ALA A 28 -2.869 1.273 -8.808 1.00 30.10 H new ATOM 0 HB2 ALA A 28 -3.964 1.900 -10.064 1.00 30.10 H new ATOM 0 HB3 ALA A 28 -2.662 2.930 -9.423 1.00 30.10 H new ATOM 380 N LEU A 29 -2.925 4.138 -6.766 1.00 3.40 N ATOM 381 CA LEU A 29 -2.150 4.540 -5.598 1.00 62.10 C ATOM 382 C LEU A 29 -3.038 4.630 -4.361 1.00 4.52 C ATOM 383 O LEU A 29 -2.705 4.092 -3.305 1.00 34.40 O ATOM 384 CB LEU A 29 -1.467 5.887 -5.851 1.00 4.31 C ATOM 385 CG LEU A 29 -0.413 6.290 -4.817 1.00 21.30 C ATOM 386 CD1 LEU A 29 -1.075 6.714 -3.515 1.00 70.10 C ATOM 387 CD2 LEU A 29 0.563 5.147 -4.573 1.00 31.20 C ATOM 0 H LEU A 29 -2.934 4.823 -7.522 1.00 3.40 H new ATOM 0 HA LEU A 29 -1.387 3.782 -5.421 1.00 62.10 H new ATOM 0 HB2 LEU A 29 -0.996 5.858 -6.834 1.00 4.31 H new ATOM 0 HB3 LEU A 29 -2.232 6.663 -5.887 1.00 4.31 H new ATOM 0 HG LEU A 29 0.145 7.140 -5.211 1.00 21.30 H new ATOM 0 HD11 LEU A 29 -0.309 6.997 -2.793 1.00 70.10 H new ATOM 0 HD12 LEU A 29 -1.731 7.565 -3.700 1.00 70.10 H new ATOM 0 HD13 LEU A 29 -1.660 5.885 -3.117 1.00 70.10 H new ATOM 0 HD21 LEU A 29 1.305 5.453 -3.835 1.00 31.20 H new ATOM 0 HD22 LEU A 29 0.020 4.278 -4.203 1.00 31.20 H new ATOM 0 HD23 LEU A 29 1.064 4.891 -5.506 1.00 31.20 H new ATOM 399 N ARG A 30 -4.170 5.313 -4.498 1.00 60.50 N ATOM 400 CA ARG A 30 -5.105 5.472 -3.391 1.00 20.20 C ATOM 401 C ARG A 30 -5.610 4.117 -2.906 1.00 11.40 C ATOM 402 O ARG A 30 -5.765 3.895 -1.705 1.00 41.00 O ATOM 403 CB ARG A 30 -6.287 6.347 -3.814 1.00 73.30 C ATOM 404 CG ARG A 30 -7.041 5.810 -5.019 1.00 51.20 C ATOM 405 CD ARG A 30 -8.311 6.605 -5.281 1.00 0.20 C ATOM 406 NE ARG A 30 -9.446 6.088 -4.520 1.00 53.30 N ATOM 407 CZ ARG A 30 -10.590 6.740 -4.371 1.00 53.10 C ATOM 408 NH1 ARG A 30 -10.760 7.933 -4.928 1.00 51.50 N ATOM 409 NH2 ARG A 30 -11.570 6.199 -3.664 1.00 12.50 N ATOM 0 H ARG A 30 -4.462 5.765 -5.365 1.00 60.50 H new ATOM 0 HA ARG A 30 -4.577 5.958 -2.571 1.00 20.20 H new ATOM 0 HB2 ARG A 30 -6.978 6.440 -2.976 1.00 73.30 H new ATOM 0 HB3 ARG A 30 -5.924 7.349 -4.040 1.00 73.30 H new ATOM 0 HG2 ARG A 30 -6.398 5.849 -5.899 1.00 51.20 H new ATOM 0 HG3 ARG A 30 -7.294 4.763 -4.854 1.00 51.20 H new ATOM 0 HD2 ARG A 30 -8.145 7.650 -5.020 1.00 0.20 H new ATOM 0 HD3 ARG A 30 -8.544 6.576 -6.345 1.00 0.20 H new ATOM 0 HE ARG A 30 -9.353 5.173 -4.078 1.00 53.30 H new ATOM 0 HH11 ARG A 30 -10.008 8.353 -5.474 1.00 51.50 H new ATOM 0 HH12 ARG A 30 -11.643 8.430 -4.810 1.00 51.50 H new ATOM 0 HH21 ARG A 30 -11.444 5.282 -3.235 1.00 12.50 H new ATOM 0 HH22 ARG A 30 -12.451 6.699 -3.548 1.00 12.50 H new ATOM 423 N LEU A 31 -5.863 3.214 -3.847 1.00 13.40 N ATOM 424 CA LEU A 31 -6.349 1.880 -3.515 1.00 63.20 C ATOM 425 C LEU A 31 -5.231 1.024 -2.927 1.00 73.30 C ATOM 426 O LEU A 31 -5.462 0.217 -2.027 1.00 73.20 O ATOM 427 CB LEU A 31 -6.927 1.201 -4.758 1.00 70.50 C ATOM 428 CG LEU A 31 -8.317 1.685 -5.173 1.00 23.00 C ATOM 429 CD1 LEU A 31 -8.547 1.441 -6.657 1.00 21.30 C ATOM 430 CD2 LEU A 31 -9.390 0.995 -4.345 1.00 45.10 C ATOM 0 H LEU A 31 -5.740 3.382 -4.846 1.00 13.40 H new ATOM 0 HA LEU A 31 -7.135 1.983 -2.767 1.00 63.20 H new ATOM 0 HB2 LEU A 31 -6.241 1.357 -5.591 1.00 70.50 H new ATOM 0 HB3 LEU A 31 -6.972 0.127 -4.579 1.00 70.50 H new ATOM 0 HG LEU A 31 -8.377 2.758 -4.989 1.00 23.00 H new ATOM 0 HD11 LEU A 31 -9.541 1.792 -6.934 1.00 21.30 H new ATOM 0 HD12 LEU A 31 -7.798 1.982 -7.235 1.00 21.30 H new ATOM 0 HD13 LEU A 31 -8.467 0.374 -6.867 1.00 21.30 H new ATOM 0 HD21 LEU A 31 -10.373 1.351 -4.654 1.00 45.10 H new ATOM 0 HD22 LEU A 31 -9.330 -0.083 -4.497 1.00 45.10 H new ATOM 0 HD23 LEU A 31 -9.237 1.221 -3.290 1.00 45.10 H new ATOM 442 N TYR A 32 -4.020 1.207 -3.443 1.00 35.30 N ATOM 443 CA TYR A 32 -2.866 0.453 -2.969 1.00 41.50 C ATOM 444 C TYR A 32 -2.517 0.836 -1.534 1.00 20.20 C ATOM 445 O TYR A 32 -2.207 -0.023 -0.709 1.00 31.20 O ATOM 446 CB TYR A 32 -1.662 0.696 -3.880 1.00 13.40 C ATOM 447 CG TYR A 32 -1.561 -0.286 -5.026 1.00 70.50 C ATOM 448 CD1 TYR A 32 -1.740 -1.648 -4.816 1.00 25.50 C ATOM 449 CD2 TYR A 32 -1.287 0.149 -6.317 1.00 23.40 C ATOM 450 CE1 TYR A 32 -1.648 -2.549 -5.861 1.00 71.50 C ATOM 451 CE2 TYR A 32 -1.194 -0.746 -7.366 1.00 10.00 C ATOM 452 CZ TYR A 32 -1.375 -2.093 -7.133 1.00 44.30 C ATOM 453 OH TYR A 32 -1.283 -2.986 -8.175 1.00 11.10 O ATOM 0 H TYR A 32 -3.813 1.871 -4.189 1.00 35.30 H new ATOM 0 HA TYR A 32 -3.122 -0.606 -2.991 1.00 41.50 H new ATOM 0 HB2 TYR A 32 -1.720 1.707 -4.283 1.00 13.40 H new ATOM 0 HB3 TYR A 32 -0.750 0.642 -3.285 1.00 13.40 H new ATOM 0 HD1 TYR A 32 -1.954 -2.009 -3.821 1.00 25.50 H new ATOM 0 HD2 TYR A 32 -1.144 1.203 -6.504 1.00 23.40 H new ATOM 0 HE1 TYR A 32 -1.789 -3.605 -5.682 1.00 71.50 H new ATOM 0 HE2 TYR A 32 -0.981 -0.392 -8.364 1.00 10.00 H new ATOM 0 HH TYR A 32 -1.195 -3.895 -7.820 1.00 11.10 H new ATOM 463 N GLN A 33 -2.570 2.132 -1.244 1.00 54.00 N ATOM 464 CA GLN A 33 -2.260 2.629 0.091 1.00 73.30 C ATOM 465 C GLN A 33 -3.206 2.031 1.128 1.00 14.20 C ATOM 466 O GLN A 33 -2.769 1.512 2.155 1.00 15.10 O ATOM 467 CB GLN A 33 -2.350 4.156 0.123 1.00 0.42 C ATOM 468 CG GLN A 33 -1.047 4.850 -0.236 1.00 43.40 C ATOM 469 CD GLN A 33 -1.138 6.359 -0.120 1.00 34.30 C ATOM 470 OE1 GLN A 33 -0.375 6.984 0.616 1.00 25.10 O ATOM 471 NE2 GLN A 33 -2.076 6.953 -0.849 1.00 43.30 N ATOM 0 H GLN A 33 -2.825 2.856 -1.915 1.00 54.00 H new ATOM 0 HA GLN A 33 -1.242 2.326 0.337 1.00 73.30 H new ATOM 0 HB2 GLN A 33 -3.127 4.480 -0.569 1.00 0.42 H new ATOM 0 HB3 GLN A 33 -2.658 4.473 1.119 1.00 0.42 H new ATOM 0 HG2 GLN A 33 -0.254 4.486 0.418 1.00 43.40 H new ATOM 0 HG3 GLN A 33 -0.767 4.584 -1.255 1.00 43.40 H new ATOM 0 HE21 GLN A 33 -2.687 6.396 -1.446 1.00 43.30 H new ATOM 0 HE22 GLN A 33 -2.185 7.966 -0.812 1.00 43.30 H new ATOM 480 N HIS A 34 -4.503 2.107 0.851 1.00 1.41 N ATOM 481 CA HIS A 34 -5.511 1.572 1.760 1.00 51.00 C ATOM 482 C HIS A 34 -5.351 0.064 1.924 1.00 35.40 C ATOM 483 O HIS A 34 -5.647 -0.490 2.983 1.00 74.20 O ATOM 484 CB HIS A 34 -6.915 1.895 1.245 1.00 31.10 C ATOM 485 CG HIS A 34 -7.443 3.209 1.731 1.00 23.10 C ATOM 486 ND1 HIS A 34 -6.941 4.424 1.313 1.00 5.41 N ATOM 487 CD2 HIS A 34 -8.436 3.496 2.606 1.00 34.20 C ATOM 488 CE1 HIS A 34 -7.601 5.400 1.909 1.00 13.40 C ATOM 489 NE2 HIS A 34 -8.514 4.864 2.698 1.00 21.40 N ATOM 0 H HIS A 34 -4.881 2.533 0.005 1.00 1.41 H new ATOM 0 HA HIS A 34 -5.372 2.041 2.734 1.00 51.00 H new ATOM 0 HB2 HIS A 34 -6.901 1.899 0.155 1.00 31.10 H new ATOM 0 HB3 HIS A 34 -7.597 1.102 1.552 1.00 31.10 H new ATOM 0 HD2 HIS A 34 -9.052 2.782 3.133 1.00 34.20 H new ATOM 0 HE1 HIS A 34 -7.424 6.457 1.774 1.00 13.40 H new ATOM 0 HE2 HIS A 34 -9.171 5.382 3.281 1.00 21.40 H new ATOM 498 N ALA A 35 -4.882 -0.594 0.869 1.00 74.20 N ATOM 499 CA ALA A 35 -4.683 -2.038 0.896 1.00 33.40 C ATOM 500 C ALA A 35 -3.546 -2.418 1.839 1.00 55.10 C ATOM 501 O ALA A 35 -3.746 -3.162 2.800 1.00 3.43 O ATOM 502 CB ALA A 35 -4.404 -2.558 -0.506 1.00 55.50 C ATOM 0 H ALA A 35 -4.633 -0.150 -0.015 1.00 74.20 H new ATOM 0 HA ALA A 35 -5.598 -2.499 1.268 1.00 33.40 H new ATOM 0 HB1 ALA A 35 -4.257 -3.638 -0.471 1.00 55.50 H new ATOM 0 HB2 ALA A 35 -5.249 -2.327 -1.155 1.00 55.50 H new ATOM 0 HB3 ALA A 35 -3.505 -2.082 -0.898 1.00 55.50 H new ATOM 508 N VAL A 36 -2.354 -1.902 1.559 1.00 63.30 N ATOM 509 CA VAL A 36 -1.185 -2.188 2.382 1.00 75.00 C ATOM 510 C VAL A 36 -1.403 -1.736 3.822 1.00 11.00 C ATOM 511 O VAL A 36 -0.895 -2.351 4.760 1.00 61.30 O ATOM 512 CB VAL A 36 0.076 -1.501 1.827 1.00 41.00 C ATOM 513 CG1 VAL A 36 1.314 -1.967 2.576 1.00 63.50 C ATOM 514 CG2 VAL A 36 0.215 -1.766 0.335 1.00 61.50 C ATOM 0 H VAL A 36 -2.172 -1.284 0.768 1.00 63.30 H new ATOM 0 HA VAL A 36 -1.040 -3.268 2.360 1.00 75.00 H new ATOM 0 HB VAL A 36 -0.025 -0.426 1.975 1.00 41.00 H new ATOM 0 HG11 VAL A 36 2.194 -1.470 2.169 1.00 63.50 H new ATOM 0 HG12 VAL A 36 1.214 -1.720 3.633 1.00 63.50 H new ATOM 0 HG13 VAL A 36 1.422 -3.046 2.464 1.00 63.50 H new ATOM 0 HG21 VAL A 36 1.112 -1.273 -0.040 1.00 61.50 H new ATOM 0 HG22 VAL A 36 0.292 -2.839 0.162 1.00 61.50 H new ATOM 0 HG23 VAL A 36 -0.659 -1.376 -0.187 1.00 61.50 H new ATOM 524 N GLU A 37 -2.162 -0.658 3.990 1.00 44.20 N ATOM 525 CA GLU A 37 -2.447 -0.124 5.317 1.00 14.50 C ATOM 526 C GLU A 37 -3.171 -1.156 6.175 1.00 13.00 C ATOM 527 O GLU A 37 -2.853 -1.334 7.350 1.00 15.40 O ATOM 528 CB GLU A 37 -3.291 1.148 5.207 1.00 63.40 C ATOM 529 CG GLU A 37 -2.465 2.418 5.089 1.00 11.00 C ATOM 530 CD GLU A 37 -3.264 3.665 5.416 1.00 63.10 C ATOM 531 OE1 GLU A 37 -3.892 4.226 4.494 1.00 15.10 O ATOM 532 OE2 GLU A 37 -3.261 4.080 6.594 1.00 3.25 O ATOM 0 H GLU A 37 -2.590 -0.137 3.225 1.00 44.20 H new ATOM 0 HA GLU A 37 -1.498 0.118 5.796 1.00 14.50 H new ATOM 0 HB2 GLU A 37 -3.944 1.067 4.338 1.00 63.40 H new ATOM 0 HB3 GLU A 37 -3.935 1.224 6.083 1.00 63.40 H new ATOM 0 HG2 GLU A 37 -1.608 2.354 5.760 1.00 11.00 H new ATOM 0 HG3 GLU A 37 -2.071 2.498 4.076 1.00 11.00 H new ATOM 539 N TYR A 38 -4.147 -1.833 5.579 1.00 22.30 N ATOM 540 CA TYR A 38 -4.917 -2.848 6.288 1.00 30.50 C ATOM 541 C TYR A 38 -4.064 -4.082 6.568 1.00 33.20 C ATOM 542 O TYR A 38 -4.254 -4.765 7.573 1.00 51.40 O ATOM 543 CB TYR A 38 -6.152 -3.242 5.476 1.00 51.30 C ATOM 544 CG TYR A 38 -7.370 -2.398 5.778 1.00 33.30 C ATOM 545 CD1 TYR A 38 -7.329 -1.015 5.655 1.00 71.30 C ATOM 546 CD2 TYR A 38 -8.561 -2.985 6.187 1.00 3.51 C ATOM 547 CE1 TYR A 38 -8.440 -0.240 5.931 1.00 32.10 C ATOM 548 CE2 TYR A 38 -9.677 -2.217 6.464 1.00 63.30 C ATOM 549 CZ TYR A 38 -9.611 -0.846 6.334 1.00 1.35 C ATOM 550 OH TYR A 38 -10.710 -0.079 6.609 1.00 64.30 O ATOM 0 H TYR A 38 -4.423 -1.697 4.607 1.00 22.30 H new ATOM 0 HA TYR A 38 -5.237 -2.425 7.240 1.00 30.50 H new ATOM 0 HB2 TYR A 38 -5.919 -3.162 4.414 1.00 51.30 H new ATOM 0 HB3 TYR A 38 -6.387 -4.288 5.673 1.00 51.30 H new ATOM 0 HD1 TYR A 38 -6.414 -0.537 5.338 1.00 71.30 H new ATOM 0 HD2 TYR A 38 -8.616 -4.059 6.290 1.00 3.51 H new ATOM 0 HE1 TYR A 38 -8.391 0.834 5.831 1.00 32.10 H new ATOM 0 HE2 TYR A 38 -10.596 -2.689 6.781 1.00 63.30 H new ATOM 0 HH TYR A 38 -11.454 -0.658 6.879 1.00 64.30 H new ATOM 560 N PHE A 39 -3.124 -4.360 5.671 1.00 11.00 N ATOM 561 CA PHE A 39 -2.242 -5.512 5.821 1.00 11.10 C ATOM 562 C PHE A 39 -1.383 -5.380 7.075 1.00 70.10 C ATOM 563 O PHE A 39 -1.332 -6.289 7.902 1.00 44.10 O ATOM 564 CB PHE A 39 -1.346 -5.659 4.589 1.00 11.00 C ATOM 565 CG PHE A 39 -1.934 -6.537 3.521 1.00 72.40 C ATOM 566 CD1 PHE A 39 -2.406 -7.803 3.829 1.00 60.30 C ATOM 567 CD2 PHE A 39 -2.014 -6.096 2.210 1.00 53.00 C ATOM 568 CE1 PHE A 39 -2.947 -8.613 2.849 1.00 14.30 C ATOM 569 CE2 PHE A 39 -2.555 -6.902 1.226 1.00 23.10 C ATOM 570 CZ PHE A 39 -3.022 -8.162 1.546 1.00 11.20 C ATOM 0 H PHE A 39 -2.953 -3.804 4.833 1.00 11.00 H new ATOM 0 HA PHE A 39 -2.863 -6.403 5.919 1.00 11.10 H new ATOM 0 HB2 PHE A 39 -1.153 -4.671 4.170 1.00 11.00 H new ATOM 0 HB3 PHE A 39 -0.384 -6.069 4.896 1.00 11.00 H new ATOM 0 HD1 PHE A 39 -2.350 -8.161 4.847 1.00 60.30 H new ATOM 0 HD2 PHE A 39 -1.650 -5.112 1.954 1.00 53.00 H new ATOM 0 HE1 PHE A 39 -3.311 -9.598 3.102 1.00 14.30 H new ATOM 0 HE2 PHE A 39 -2.613 -6.547 0.208 1.00 23.10 H new ATOM 0 HZ PHE A 39 -3.445 -8.793 0.779 1.00 11.20 H new ATOM 580 N LEU A 40 -0.710 -4.241 7.208 1.00 24.40 N ATOM 581 CA LEU A 40 0.146 -3.990 8.361 1.00 72.10 C ATOM 582 C LEU A 40 -0.656 -4.043 9.657 1.00 23.20 C ATOM 583 O LEU A 40 -0.172 -4.529 10.680 1.00 74.40 O ATOM 584 CB LEU A 40 0.832 -2.629 8.227 1.00 74.10 C ATOM 585 CG LEU A 40 1.598 -2.416 6.920 1.00 74.40 C ATOM 586 CD1 LEU A 40 2.208 -1.024 6.881 1.00 61.40 C ATOM 587 CD2 LEU A 40 2.675 -3.478 6.757 1.00 3.53 C ATOM 0 H LEU A 40 -0.741 -3.478 6.532 1.00 24.40 H new ATOM 0 HA LEU A 40 0.906 -4.771 8.394 1.00 72.10 H new ATOM 0 HB2 LEU A 40 0.077 -1.848 8.319 1.00 74.10 H new ATOM 0 HB3 LEU A 40 1.524 -2.504 9.060 1.00 74.10 H new ATOM 0 HG LEU A 40 0.898 -2.506 6.090 1.00 74.40 H new ATOM 0 HD11 LEU A 40 2.749 -0.890 5.944 1.00 61.40 H new ATOM 0 HD12 LEU A 40 1.417 -0.278 6.953 1.00 61.40 H new ATOM 0 HD13 LEU A 40 2.896 -0.905 7.718 1.00 61.40 H new ATOM 0 HD21 LEU A 40 3.211 -3.312 5.822 1.00 3.53 H new ATOM 0 HD22 LEU A 40 3.374 -3.419 7.591 1.00 3.53 H new ATOM 0 HD23 LEU A 40 2.213 -4.465 6.740 1.00 3.53 H new ATOM 599 N HIS A 41 -1.885 -3.539 9.607 1.00 34.50 N ATOM 600 CA HIS A 41 -2.755 -3.528 10.778 1.00 21.10 C ATOM 601 C HIS A 41 -3.199 -4.942 11.138 1.00 41.20 C ATOM 602 O HIS A 41 -3.419 -5.255 12.308 1.00 14.10 O ATOM 603 CB HIS A 41 -3.978 -2.646 10.522 1.00 41.00 C ATOM 604 CG HIS A 41 -3.782 -1.219 10.928 1.00 1.01 C ATOM 605 ND1 HIS A 41 -4.215 -0.713 12.136 1.00 51.50 N ATOM 606 CD2 HIS A 41 -3.193 -0.185 10.280 1.00 13.50 C ATOM 607 CE1 HIS A 41 -3.903 0.568 12.213 1.00 13.00 C ATOM 608 NE2 HIS A 41 -3.282 0.912 11.100 1.00 33.30 N ATOM 0 H HIS A 41 -2.301 -3.133 8.769 1.00 34.50 H new ATOM 0 HA HIS A 41 -2.191 -3.119 11.616 1.00 21.10 H new ATOM 0 HB2 HIS A 41 -4.227 -2.683 9.461 1.00 41.00 H new ATOM 0 HB3 HIS A 41 -4.831 -3.055 11.063 1.00 41.00 H new ATOM 0 HD2 HIS A 41 -2.738 -0.218 9.301 1.00 13.50 H new ATOM 0 HE1 HIS A 41 -4.119 1.222 13.045 1.00 13.00 H new ATOM 0 HE2 HIS A 41 -2.926 1.843 10.884 1.00 33.30 H new ATOM 617 N ALA A 42 -3.331 -5.792 10.125 1.00 34.10 N ATOM 618 CA ALA A 42 -3.749 -7.173 10.335 1.00 51.10 C ATOM 619 C ALA A 42 -2.613 -8.009 10.914 1.00 50.00 C ATOM 620 O ALA A 42 -2.846 -8.953 11.669 1.00 44.20 O ATOM 621 CB ALA A 42 -4.241 -7.779 9.030 1.00 2.23 C ATOM 0 H ALA A 42 -3.154 -5.549 9.150 1.00 34.10 H new ATOM 0 HA ALA A 42 -4.568 -7.173 11.055 1.00 51.10 H new ATOM 0 HB1 ALA A 42 -4.550 -8.810 9.201 1.00 2.23 H new ATOM 0 HB2 ALA A 42 -5.089 -7.203 8.658 1.00 2.23 H new ATOM 0 HB3 ALA A 42 -3.438 -7.759 8.294 1.00 2.23 H new ATOM 627 N ILE A 43 -1.383 -7.656 10.555 1.00 71.10 N ATOM 628 CA ILE A 43 -0.210 -8.374 11.039 1.00 53.40 C ATOM 629 C ILE A 43 0.104 -8.000 12.484 1.00 11.50 C ATOM 630 O ILE A 43 0.376 -8.866 13.315 1.00 11.40 O ATOM 631 CB ILE A 43 1.026 -8.088 10.165 1.00 60.30 C ATOM 632 CG1 ILE A 43 0.699 -8.312 8.687 1.00 71.00 C ATOM 633 CG2 ILE A 43 2.194 -8.966 10.592 1.00 42.10 C ATOM 634 CD1 ILE A 43 1.384 -7.330 7.761 1.00 74.50 C ATOM 0 H ILE A 43 -1.173 -6.877 9.931 1.00 71.10 H new ATOM 0 HA ILE A 43 -0.444 -9.437 10.984 1.00 53.40 H new ATOM 0 HB ILE A 43 1.312 -7.045 10.301 1.00 60.30 H new ATOM 0 HG12 ILE A 43 0.989 -9.325 8.408 1.00 71.00 H new ATOM 0 HG13 ILE A 43 -0.380 -8.240 8.547 1.00 71.00 H new ATOM 0 HG21 ILE A 43 3.059 -8.751 9.964 1.00 42.10 H new ATOM 0 HG22 ILE A 43 2.441 -8.761 11.634 1.00 42.10 H new ATOM 0 HG23 ILE A 43 1.919 -10.015 10.484 1.00 42.10 H new ATOM 0 HD11 ILE A 43 1.107 -7.548 6.730 1.00 74.50 H new ATOM 0 HD12 ILE A 43 1.075 -6.316 8.013 1.00 74.50 H new ATOM 0 HD13 ILE A 43 2.465 -7.418 7.872 1.00 74.50 H new ATOM 646 N LYS A 44 0.065 -6.704 12.776 1.00 41.10 N ATOM 647 CA LYS A 44 0.346 -6.215 14.121 1.00 75.20 C ATOM 648 C LYS A 44 -0.640 -6.797 15.129 1.00 63.20 C ATOM 649 O LYS A 44 -0.255 -7.202 16.226 1.00 74.20 O ATOM 650 CB LYS A 44 0.285 -4.687 14.153 1.00 25.40 C ATOM 651 CG LYS A 44 -1.093 -4.126 13.841 1.00 1.21 C ATOM 652 CD LYS A 44 -1.097 -2.607 13.872 1.00 25.30 C ATOM 653 CE LYS A 44 -0.152 -2.026 12.833 1.00 60.00 C ATOM 654 NZ LYS A 44 1.179 -1.695 13.413 1.00 33.30 N ATOM 0 H LYS A 44 -0.158 -5.974 12.100 1.00 41.10 H new ATOM 0 HA LYS A 44 1.350 -6.537 14.396 1.00 75.20 H new ATOM 0 HB2 LYS A 44 0.595 -4.340 15.139 1.00 25.40 H new ATOM 0 HB3 LYS A 44 1.002 -4.288 13.435 1.00 25.40 H new ATOM 0 HG2 LYS A 44 -1.413 -4.472 12.858 1.00 1.21 H new ATOM 0 HG3 LYS A 44 -1.814 -4.507 14.564 1.00 1.21 H new ATOM 0 HD2 LYS A 44 -2.108 -2.241 13.691 1.00 25.30 H new ATOM 0 HD3 LYS A 44 -0.806 -2.262 14.864 1.00 25.30 H new ATOM 0 HE2 LYS A 44 -0.025 -2.740 12.019 1.00 60.00 H new ATOM 0 HE3 LYS A 44 -0.594 -1.127 12.403 1.00 60.00 H new ATOM 0 HZ1 LYS A 44 1.322 -0.665 13.388 1.00 33.30 H new ATOM 0 HZ2 LYS A 44 1.221 -2.027 14.398 1.00 33.30 H new ATOM 0 HZ3 LYS A 44 1.925 -2.162 12.859 1.00 33.30 H new ATOM 668 N TYR A 45 -1.913 -6.835 14.749 1.00 55.00 N ATOM 669 CA TYR A 45 -2.954 -7.367 15.620 1.00 4.10 C ATOM 670 C TYR A 45 -2.846 -8.884 15.733 1.00 3.31 C ATOM 671 O TYR A 45 -2.723 -9.428 16.831 1.00 25.30 O ATOM 672 CB TYR A 45 -4.337 -6.981 15.092 1.00 14.50 C ATOM 673 CG TYR A 45 -4.875 -5.698 15.684 1.00 72.10 C ATOM 674 CD1 TYR A 45 -4.483 -4.462 15.185 1.00 54.20 C ATOM 675 CD2 TYR A 45 -5.775 -5.723 16.742 1.00 10.20 C ATOM 676 CE1 TYR A 45 -4.973 -3.287 15.724 1.00 72.10 C ATOM 677 CE2 TYR A 45 -6.270 -4.553 17.286 1.00 63.50 C ATOM 678 CZ TYR A 45 -5.865 -3.338 16.774 1.00 43.30 C ATOM 679 OH TYR A 45 -6.355 -2.171 17.313 1.00 23.30 O ATOM 0 H TYR A 45 -2.248 -6.504 13.844 1.00 55.00 H new ATOM 0 HA TYR A 45 -2.818 -6.936 16.612 1.00 4.10 H new ATOM 0 HB2 TYR A 45 -4.287 -6.878 14.008 1.00 14.50 H new ATOM 0 HB3 TYR A 45 -5.036 -7.790 15.304 1.00 14.50 H new ATOM 0 HD1 TYR A 45 -3.784 -4.418 14.363 1.00 54.20 H new ATOM 0 HD2 TYR A 45 -6.093 -6.673 17.146 1.00 10.20 H new ATOM 0 HE1 TYR A 45 -4.659 -2.334 15.325 1.00 72.10 H new ATOM 0 HE2 TYR A 45 -6.970 -4.590 18.108 1.00 63.50 H new ATOM 0 HH TYR A 45 -6.973 -2.382 18.044 1.00 23.30 H new ATOM 689 N GLU A 46 -2.891 -9.563 14.591 1.00 21.30 N ATOM 690 CA GLU A 46 -2.797 -11.010 14.563 1.00 42.50 C ATOM 691 C GLU A 46 -1.881 -11.480 13.435 1.00 13.40 C ATOM 692 O GLU A 46 -1.348 -10.660 12.680 1.00 20.30 O ATOM 693 CB GLU A 46 -4.187 -11.630 14.394 1.00 15.00 C ATOM 694 CG GLU A 46 -5.105 -11.400 15.582 1.00 63.30 C ATOM 695 CD GLU A 46 -6.308 -12.320 15.581 1.00 63.20 C ATOM 696 OE1 GLU A 46 -7.305 -11.990 14.904 1.00 12.10 O ATOM 697 OE2 GLU A 46 -6.252 -13.370 16.256 1.00 71.50 O ATOM 0 H GLU A 46 -2.992 -9.129 13.674 1.00 21.30 H new ATOM 0 HA GLU A 46 -2.371 -11.336 15.512 1.00 42.50 H new ATOM 0 HB2 GLU A 46 -4.654 -11.217 13.500 1.00 15.00 H new ATOM 0 HB3 GLU A 46 -4.080 -12.702 14.231 1.00 15.00 H new ATOM 0 HG2 GLU A 46 -4.542 -11.546 16.504 1.00 63.30 H new ATOM 0 HG3 GLU A 46 -5.445 -10.364 15.577 1.00 63.30 H new ATOM 704 N ALA A 47 -1.704 -12.790 13.326 1.00 63.20 N ATOM 705 CA ALA A 47 -0.852 -13.360 12.291 1.00 23.00 C ATOM 706 C ALA A 47 -0.914 -14.890 12.311 1.00 33.20 C ATOM 707 O ALA A 47 -1.609 -15.480 13.135 1.00 23.40 O ATOM 708 CB ALA A 47 0.582 -12.890 12.465 1.00 54.10 C ATOM 0 H ALA A 47 -2.139 -13.478 13.941 1.00 63.20 H new ATOM 0 HA ALA A 47 -1.220 -13.016 11.324 1.00 23.00 H new ATOM 0 HB1 ALA A 47 1.205 -13.325 11.684 1.00 54.10 H new ATOM 0 HB2 ALA A 47 0.620 -11.803 12.396 1.00 54.10 H new ATOM 0 HB3 ALA A 47 0.952 -13.204 13.441 1.00 54.10 H new ATOM 714 N HIS A 48 -0.181 -15.510 11.397 1.00 24.40 N ATOM 715 CA HIS A 48 -0.152 -16.970 11.310 1.00 51.10 C ATOM 716 C HIS A 48 1.172 -17.520 11.830 1.00 4.40 C ATOM 717 O HIS A 48 1.215 -18.190 12.865 1.00 72.00 O ATOM 718 CB HIS A 48 -0.372 -17.420 9.864 1.00 15.10 C ATOM 719 CG HIS A 48 -1.810 -17.650 9.521 1.00 21.20 C ATOM 720 ND1 HIS A 48 -2.324 -17.460 8.256 1.00 30.30 N ATOM 721 CD2 HIS A 48 -2.849 -18.060 10.287 1.00 44.10 C ATOM 722 CE1 HIS A 48 -3.615 -17.740 8.259 1.00 63.00 C ATOM 723 NE2 HIS A 48 -3.957 -18.110 9.478 1.00 64.40 N ATOM 0 H HIS A 48 0.399 -15.032 10.708 1.00 24.40 H new ATOM 0 HA HIS A 48 -0.957 -17.362 11.932 1.00 51.10 H new ATOM 0 HB2 HIS A 48 0.037 -16.666 9.191 1.00 15.10 H new ATOM 0 HB3 HIS A 48 0.186 -18.340 9.690 1.00 15.10 H new ATOM 0 HD2 HIS A 48 -2.813 -18.303 11.339 1.00 44.10 H new ATOM 0 HE1 HIS A 48 -4.277 -17.677 7.408 1.00 63.00 H new ATOM 0 HE2 HIS A 48 -4.893 -18.388 9.772 1.00 64.40 H new ATOM 732 N SER A 49 2.250 -17.240 11.106 1.00 63.00 N ATOM 733 CA SER A 49 3.575 -17.700 11.495 1.00 71.20 C ATOM 734 C SER A 49 4.658 -16.770 10.966 1.00 3.40 C ATOM 735 O SER A 49 4.372 -15.830 10.226 1.00 70.50 O ATOM 736 CB SER A 49 3.812 -19.120 10.976 1.00 2.02 C ATOM 737 OG SER A 49 4.674 -19.850 11.839 1.00 21.50 O ATOM 0 H SER A 49 2.230 -16.695 10.244 1.00 63.00 H new ATOM 0 HA SER A 49 3.625 -17.699 12.584 1.00 71.20 H new ATOM 0 HB2 SER A 49 2.858 -19.640 10.886 1.00 2.02 H new ATOM 0 HB3 SER A 49 4.246 -19.076 9.977 1.00 2.02 H new ATOM 0 HG SER A 49 5.607 -19.672 11.596 1.00 21.50 H new ATOM 743 N ASP A 50 5.902 -17.030 11.352 1.00 43.20 N ATOM 744 CA ASP A 50 7.028 -16.220 10.916 1.00 72.40 C ATOM 745 C ASP A 50 7.158 -16.240 9.397 1.00 0.22 C ATOM 746 O ASP A 50 7.393 -15.200 8.771 1.00 21.40 O ATOM 747 CB ASP A 50 8.325 -16.710 11.557 1.00 71.20 C ATOM 748 CG ASP A 50 8.606 -18.170 11.237 1.00 1.10 C ATOM 749 OD1 ASP A 50 7.711 -19.010 11.463 1.00 54.10 O ATOM 750 OD2 ASP A 50 9.722 -18.470 10.761 1.00 1.34 O ATOM 0 H ASP A 50 6.155 -17.801 11.970 1.00 43.20 H new ATOM 0 HA ASP A 50 6.844 -15.194 11.235 1.00 72.40 H new ATOM 0 HB2 ASP A 50 9.156 -16.097 11.208 1.00 71.20 H new ATOM 0 HB3 ASP A 50 8.266 -16.581 12.638 1.00 71.20 H new ATOM 755 N LYS A 51 7.004 -17.420 8.809 1.00 10.40 N ATOM 756 CA LYS A 51 7.104 -17.570 7.362 1.00 45.50 C ATOM 757 C LYS A 51 6.047 -16.730 6.652 1.00 61.00 C ATOM 758 O LYS A 51 6.358 -15.970 5.738 1.00 75.40 O ATOM 759 CB LYS A 51 6.950 -19.040 6.972 1.00 55.30 C ATOM 760 CG LYS A 51 7.358 -19.340 5.538 1.00 44.40 C ATOM 761 CD LYS A 51 7.715 -20.800 5.351 1.00 11.40 C ATOM 762 CE LYS A 51 8.839 -20.980 4.342 1.00 4.30 C ATOM 763 NZ LYS A 51 8.386 -20.700 2.952 1.00 15.40 N ATOM 0 H LYS A 51 6.810 -18.286 9.311 1.00 10.40 H new ATOM 0 HA LYS A 51 8.088 -17.218 7.052 1.00 45.50 H new ATOM 0 HB2 LYS A 51 7.551 -19.650 7.646 1.00 55.30 H new ATOM 0 HB3 LYS A 51 5.911 -19.337 7.114 1.00 55.30 H new ATOM 0 HG2 LYS A 51 6.543 -19.076 4.865 1.00 44.40 H new ATOM 0 HG3 LYS A 51 8.211 -18.719 5.265 1.00 44.40 H new ATOM 0 HD2 LYS A 51 8.014 -21.227 6.308 1.00 11.40 H new ATOM 0 HD3 LYS A 51 6.835 -21.350 5.017 1.00 11.40 H new ATOM 0 HE2 LYS A 51 9.665 -20.315 4.596 1.00 4.30 H new ATOM 0 HE3 LYS A 51 9.221 -21.999 4.401 1.00 4.30 H new ATOM 0 HZ1 LYS A 51 9.181 -20.834 2.294 1.00 15.40 H new ATOM 0 HZ2 LYS A 51 7.615 -21.351 2.700 1.00 15.40 H new ATOM 0 HZ3 LYS A 51 8.046 -19.719 2.889 1.00 15.40 H new ATOM 777 N ALA A 52 4.797 -16.880 7.078 1.00 41.10 N ATOM 778 CA ALA A 52 3.694 -16.130 6.483 1.00 4.43 C ATOM 779 C ALA A 52 3.864 -14.630 6.700 1.00 21.30 C ATOM 780 O ALA A 52 3.660 -13.840 5.784 1.00 13.30 O ATOM 781 CB ALA A 52 2.368 -16.600 7.061 1.00 2.34 C ATOM 0 H ALA A 52 4.522 -17.512 7.830 1.00 41.10 H new ATOM 0 HA ALA A 52 3.700 -16.316 5.409 1.00 4.43 H new ATOM 0 HB1 ALA A 52 1.553 -16.034 6.610 1.00 2.34 H new ATOM 0 HB2 ALA A 52 2.234 -17.661 6.848 1.00 2.34 H new ATOM 0 HB3 ALA A 52 2.365 -16.443 8.140 1.00 2.34 H new ATOM 787 N LYS A 53 4.240 -14.260 7.917 1.00 50.10 N ATOM 788 CA LYS A 53 4.438 -12.850 8.254 1.00 13.30 C ATOM 789 C LYS A 53 5.520 -12.230 7.377 1.00 34.50 C ATOM 790 O LYS A 53 5.455 -11.050 7.039 1.00 61.40 O ATOM 791 CB LYS A 53 4.816 -12.710 9.729 1.00 22.30 C ATOM 792 CG LYS A 53 3.634 -12.840 10.676 1.00 25.20 C ATOM 793 CD LYS A 53 3.848 -12.040 11.950 1.00 73.30 C ATOM 794 CE LYS A 53 5.060 -12.540 12.723 1.00 72.00 C ATOM 795 NZ LYS A 53 6.298 -11.800 12.348 1.00 22.20 N ATOM 0 H LYS A 53 4.414 -14.909 8.685 1.00 50.10 H new ATOM 0 HA LYS A 53 3.503 -12.320 8.073 1.00 13.30 H new ATOM 0 HB2 LYS A 53 5.556 -13.470 9.979 1.00 22.30 H new ATOM 0 HB3 LYS A 53 5.290 -11.740 9.883 1.00 22.30 H new ATOM 0 HG2 LYS A 53 2.728 -12.496 10.177 1.00 25.20 H new ATOM 0 HG3 LYS A 53 3.481 -13.890 10.926 1.00 25.20 H new ATOM 0 HD2 LYS A 53 3.982 -10.987 11.702 1.00 73.30 H new ATOM 0 HD3 LYS A 53 2.960 -12.109 12.578 1.00 73.30 H new ATOM 0 HE2 LYS A 53 4.880 -12.430 13.792 1.00 72.00 H new ATOM 0 HE3 LYS A 53 5.200 -13.604 12.531 1.00 72.00 H new ATOM 0 HZ1 LYS A 53 6.790 -11.487 13.209 1.00 22.20 H new ATOM 0 HZ2 LYS A 53 6.923 -12.425 11.800 1.00 22.20 H new ATOM 0 HZ3 LYS A 53 6.046 -10.971 11.772 1.00 22.20 H new ATOM 809 N GLU A 54 6.513 -13.030 7.012 1.00 64.20 N ATOM 810 CA GLU A 54 7.609 -12.560 6.174 1.00 31.30 C ATOM 811 C GLU A 54 7.134 -12.310 4.745 1.00 35.10 C ATOM 812 O GLU A 54 7.582 -11.380 4.084 1.00 21.40 O ATOM 813 CB GLU A 54 8.754 -13.570 6.176 1.00 12.20 C ATOM 814 CG GLU A 54 10.093 -12.980 5.768 1.00 3.50 C ATOM 815 CD GLU A 54 11.167 -14.030 5.589 1.00 10.40 C ATOM 816 OE1 GLU A 54 11.274 -14.930 6.456 1.00 34.00 O ATOM 817 OE2 GLU A 54 11.902 -13.970 4.581 1.00 21.30 O ATOM 0 H GLU A 54 6.582 -14.011 7.284 1.00 64.20 H new ATOM 0 HA GLU A 54 7.969 -11.618 6.587 1.00 31.30 H new ATOM 0 HB2 GLU A 54 8.846 -13.999 7.174 1.00 12.20 H new ATOM 0 HB3 GLU A 54 8.506 -14.387 5.499 1.00 12.20 H new ATOM 0 HG2 GLU A 54 9.973 -12.428 4.836 1.00 3.50 H new ATOM 0 HG3 GLU A 54 10.414 -12.263 6.524 1.00 3.50 H new ATOM 824 N SER A 55 6.226 -13.160 4.275 1.00 44.30 N ATOM 825 CA SER A 55 5.690 -13.040 2.925 1.00 70.20 C ATOM 826 C SER A 55 4.899 -11.740 2.770 1.00 44.30 C ATOM 827 O SER A 55 4.853 -11.160 1.689 1.00 31.20 O ATOM 828 CB SER A 55 4.799 -14.240 2.595 1.00 64.40 C ATOM 829 OG SER A 55 4.950 -14.630 1.241 1.00 35.20 O ATOM 0 H SER A 55 5.846 -13.940 4.811 1.00 44.30 H new ATOM 0 HA SER A 55 6.527 -13.021 2.227 1.00 70.20 H new ATOM 0 HB2 SER A 55 5.052 -15.075 3.248 1.00 64.40 H new ATOM 0 HB3 SER A 55 3.757 -13.988 2.790 1.00 64.40 H new ATOM 0 HG SER A 55 4.372 -15.399 1.056 1.00 35.20 H new ATOM 835 N ILE A 56 4.276 -11.300 3.859 1.00 11.20 N ATOM 836 CA ILE A 56 3.487 -10.080 3.845 1.00 2.35 C ATOM 837 C ILE A 56 4.386 -8.849 3.825 1.00 34.40 C ATOM 838 O ILE A 56 4.075 -7.852 3.173 1.00 75.50 O ATOM 839 CB ILE A 56 2.551 -10.000 5.066 1.00 60.40 C ATOM 840 CG1 ILE A 56 1.758 -11.300 5.216 1.00 51.20 C ATOM 841 CG2 ILE A 56 1.610 -8.812 4.935 1.00 21.30 C ATOM 842 CD1 ILE A 56 1.161 -11.480 6.594 1.00 1.32 C ATOM 0 H ILE A 56 4.304 -11.773 4.762 1.00 11.20 H new ATOM 0 HA ILE A 56 2.883 -10.103 2.938 1.00 2.35 H new ATOM 0 HB ILE A 56 3.158 -9.862 5.961 1.00 60.40 H new ATOM 0 HG12 ILE A 56 0.958 -11.317 4.476 1.00 51.20 H new ATOM 0 HG13 ILE A 56 2.412 -12.144 4.998 1.00 51.20 H new ATOM 0 HG21 ILE A 56 0.955 -8.769 5.805 1.00 21.30 H new ATOM 0 HG22 ILE A 56 2.192 -7.892 4.873 1.00 21.30 H new ATOM 0 HG23 ILE A 56 1.008 -8.922 4.033 1.00 21.30 H new ATOM 0 HD11 ILE A 56 0.612 -12.421 6.633 1.00 1.32 H new ATOM 0 HD12 ILE A 56 1.958 -11.494 7.337 1.00 1.32 H new ATOM 0 HD13 ILE A 56 0.482 -10.655 6.807 1.00 1.32 H new ATOM 854 N ARG A 57 5.502 -8.926 4.542 1.00 51.00 N ATOM 855 CA ARG A 57 6.446 -7.816 4.607 1.00 13.10 C ATOM 856 C ARG A 57 7.005 -7.498 3.223 1.00 1.12 C ATOM 857 O ARG A 57 6.902 -6.368 2.746 1.00 34.40 O ATOM 858 CB ARG A 57 7.588 -8.147 5.571 1.00 13.30 C ATOM 859 CG ARG A 57 7.459 -7.462 6.922 1.00 32.40 C ATOM 860 CD ARG A 57 6.671 -8.314 7.904 1.00 43.00 C ATOM 861 NE ARG A 57 7.117 -8.114 9.281 1.00 64.10 N ATOM 862 CZ ARG A 57 6.396 -8.448 10.350 1.00 33.10 C ATOM 863 NH1 ARG A 57 5.196 -8.996 10.204 1.00 30.20 N ATOM 864 NH2 ARG A 57 6.876 -8.232 11.567 1.00 2.41 N ATOM 0 H ARG A 57 5.775 -9.745 5.086 1.00 51.00 H new ATOM 0 HA ARG A 57 5.915 -6.938 4.974 1.00 13.10 H new ATOM 0 HB2 ARG A 57 7.625 -9.226 5.722 1.00 13.30 H new ATOM 0 HB3 ARG A 57 8.534 -7.857 5.114 1.00 13.30 H new ATOM 0 HG2 ARG A 57 8.451 -7.262 7.326 1.00 32.40 H new ATOM 0 HG3 ARG A 57 6.966 -6.498 6.797 1.00 32.40 H new ATOM 0 HD2 ARG A 57 5.611 -8.070 7.827 1.00 43.00 H new ATOM 0 HD3 ARG A 57 6.776 -9.366 7.638 1.00 43.00 H new ATOM 0 HE ARG A 57 8.034 -7.694 9.432 1.00 64.10 H new ATOM 0 HH11 ARG A 57 4.822 -9.163 9.270 1.00 30.20 H new ATOM 0 HH12 ARG A 57 4.648 -9.250 11.026 1.00 30.20 H new ATOM 0 HH21 ARG A 57 7.797 -7.810 11.684 1.00 2.41 H new ATOM 0 HH22 ARG A 57 6.324 -8.488 12.386 1.00 2.41 H new ATOM 878 N ALA A 58 7.597 -8.502 2.584 1.00 50.20 N ATOM 879 CA ALA A 58 8.172 -8.330 1.255 1.00 13.40 C ATOM 880 C ALA A 58 7.127 -7.822 0.267 1.00 32.00 C ATOM 881 O ALA A 58 7.416 -6.972 -0.576 1.00 71.20 O ATOM 882 CB ALA A 58 8.771 -9.639 0.765 1.00 45.00 C ATOM 0 H ALA A 58 7.691 -9.443 2.965 1.00 50.20 H new ATOM 0 HA ALA A 58 8.964 -7.584 1.323 1.00 13.40 H new ATOM 0 HB1 ALA A 58 9.196 -9.495 -0.228 1.00 45.00 H new ATOM 0 HB2 ALA A 58 9.554 -9.961 1.452 1.00 45.00 H new ATOM 0 HB3 ALA A 58 7.993 -10.401 0.720 1.00 45.00 H new ATOM 888 N LYS A 59 5.911 -8.346 0.377 1.00 12.20 N ATOM 889 CA LYS A 59 4.823 -7.944 -0.505 1.00 22.10 C ATOM 890 C LYS A 59 4.443 -6.487 -0.266 1.00 61.10 C ATOM 891 O LYS A 59 4.017 -5.787 -1.185 1.00 2.55 O ATOM 892 CB LYS A 59 3.604 -8.843 -0.289 1.00 64.40 C ATOM 893 CG LYS A 59 2.497 -8.621 -1.306 1.00 44.20 C ATOM 894 CD LYS A 59 1.776 -9.918 -1.637 1.00 21.50 C ATOM 895 CE LYS A 59 0.332 -9.665 -2.042 1.00 10.20 C ATOM 896 NZ LYS A 59 -0.529 -10.850 -1.802 1.00 44.20 N ATOM 0 H LYS A 59 5.655 -9.050 1.069 1.00 12.20 H new ATOM 0 HA LYS A 59 5.164 -8.049 -1.535 1.00 22.10 H new ATOM 0 HB2 LYS A 59 3.920 -9.885 -0.330 1.00 64.40 H new ATOM 0 HB3 LYS A 59 3.207 -8.669 0.711 1.00 64.40 H new ATOM 0 HG2 LYS A 59 1.783 -7.896 -0.916 1.00 44.20 H new ATOM 0 HG3 LYS A 59 2.918 -8.195 -2.217 1.00 44.20 H new ATOM 0 HD2 LYS A 59 2.298 -10.429 -2.446 1.00 21.50 H new ATOM 0 HD3 LYS A 59 1.802 -10.581 -0.772 1.00 21.50 H new ATOM 0 HE2 LYS A 59 -0.058 -8.815 -1.483 1.00 10.20 H new ATOM 0 HE3 LYS A 59 0.293 -9.397 -3.098 1.00 10.20 H new ATOM 0 HZ1 LYS A 59 -1.504 -10.635 -2.092 1.00 44.20 H new ATOM 0 HZ2 LYS A 59 -0.173 -11.655 -2.355 1.00 44.20 H new ATOM 0 HZ3 LYS A 59 -0.513 -11.091 -0.790 1.00 44.20 H new ATOM 910 N CYS A 60 4.600 -6.036 0.975 1.00 53.40 N ATOM 911 CA CYS A 60 4.275 -4.661 1.335 1.00 63.00 C ATOM 912 C CYS A 60 5.355 -3.701 0.848 1.00 25.40 C ATOM 913 O CYS A 60 5.057 -2.664 0.256 1.00 31.10 O ATOM 914 CB CYS A 60 4.109 -4.535 2.851 1.00 4.02 C ATOM 915 SG CYS A 60 2.599 -5.293 3.494 1.00 15.00 S ATOM 0 H CYS A 60 4.950 -6.603 1.747 1.00 53.40 H new ATOM 0 HA CYS A 60 3.335 -4.397 0.850 1.00 63.00 H new ATOM 0 HB2 CYS A 60 4.969 -4.993 3.339 1.00 4.02 H new ATOM 0 HB3 CYS A 60 4.115 -3.479 3.120 1.00 4.02 H new ATOM 0 HG CYS A 60 2.669 -6.584 3.357 1.00 15.00 H new ATOM 921 N VAL A 61 6.611 -4.055 1.101 1.00 71.20 N ATOM 922 CA VAL A 61 7.737 -3.225 0.688 1.00 65.40 C ATOM 923 C VAL A 61 7.741 -3.018 -0.823 1.00 2.55 C ATOM 924 O VAL A 61 7.984 -1.913 -1.308 1.00 43.30 O ATOM 925 CB VAL A 61 9.080 -3.847 1.112 1.00 43.20 C ATOM 926 CG1 VAL A 61 10.224 -2.878 0.850 1.00 0.43 C ATOM 927 CG2 VAL A 61 9.041 -4.255 2.578 1.00 25.50 C ATOM 0 H VAL A 61 6.875 -4.911 1.590 1.00 71.20 H new ATOM 0 HA VAL A 61 7.619 -2.262 1.185 1.00 65.40 H new ATOM 0 HB VAL A 61 9.250 -4.743 0.514 1.00 43.20 H new ATOM 0 HG11 VAL A 61 11.165 -3.335 1.156 1.00 0.43 H new ATOM 0 HG12 VAL A 61 10.264 -2.641 -0.213 1.00 0.43 H new ATOM 0 HG13 VAL A 61 10.063 -1.963 1.419 1.00 0.43 H new ATOM 0 HG21 VAL A 61 9.999 -4.693 2.859 1.00 25.50 H new ATOM 0 HG22 VAL A 61 8.848 -3.377 3.195 1.00 25.50 H new ATOM 0 HG23 VAL A 61 8.249 -4.988 2.731 1.00 25.50 H new ATOM 937 N GLN A 62 7.469 -4.088 -1.563 1.00 4.24 N ATOM 938 CA GLN A 62 7.441 -4.024 -3.019 1.00 50.30 C ATOM 939 C GLN A 62 6.276 -3.167 -3.503 1.00 43.40 C ATOM 940 O GLN A 62 6.388 -2.456 -4.502 1.00 54.00 O ATOM 941 CB GLN A 62 7.334 -5.431 -3.611 1.00 34.40 C ATOM 942 CG GLN A 62 7.451 -5.464 -5.126 1.00 63.10 C ATOM 943 CD GLN A 62 7.249 -6.855 -5.695 1.00 2.41 C ATOM 944 OE1 GLN A 62 7.643 -7.850 -5.088 1.00 24.40 O ATOM 945 NE2 GLN A 62 6.633 -6.930 -6.869 1.00 2.43 N ATOM 0 H GLN A 62 7.265 -5.010 -1.178 1.00 4.24 H new ATOM 0 HA GLN A 62 8.371 -3.566 -3.355 1.00 50.30 H new ATOM 0 HB2 GLN A 62 8.115 -6.058 -3.181 1.00 34.40 H new ATOM 0 HB3 GLN A 62 6.379 -5.867 -3.319 1.00 34.40 H new ATOM 0 HG2 GLN A 62 6.714 -4.788 -5.559 1.00 63.10 H new ATOM 0 HG3 GLN A 62 8.434 -5.094 -5.419 1.00 63.10 H new ATOM 0 HE21 GLN A 62 6.323 -6.079 -7.337 1.00 2.43 H new ATOM 0 HE22 GLN A 62 6.470 -7.839 -7.302 1.00 2.43 H new ATOM 954 N TYR A 63 5.158 -3.238 -2.788 1.00 33.00 N ATOM 955 CA TYR A 63 3.972 -2.468 -3.145 1.00 23.20 C ATOM 956 C TYR A 63 4.211 -0.976 -2.942 1.00 12.10 C ATOM 957 O TYR A 63 3.789 -0.153 -3.754 1.00 14.30 O ATOM 958 CB TYR A 63 2.773 -2.923 -2.311 1.00 52.20 C ATOM 959 CG TYR A 63 1.975 -4.035 -2.953 1.00 21.30 C ATOM 960 CD1 TYR A 63 1.638 -3.985 -4.300 1.00 60.20 C ATOM 961 CD2 TYR A 63 1.558 -5.134 -2.213 1.00 62.20 C ATOM 962 CE1 TYR A 63 0.908 -4.999 -4.891 1.00 53.30 C ATOM 963 CE2 TYR A 63 0.828 -6.152 -2.797 1.00 2.11 C ATOM 964 CZ TYR A 63 0.506 -6.080 -4.136 1.00 4.42 C ATOM 965 OH TYR A 63 -0.220 -7.092 -4.720 1.00 41.20 O ATOM 0 H TYR A 63 5.048 -3.821 -1.958 1.00 33.00 H new ATOM 0 HA TYR A 63 3.759 -2.643 -4.200 1.00 23.20 H new ATOM 0 HB2 TYR A 63 3.126 -3.257 -1.335 1.00 52.20 H new ATOM 0 HB3 TYR A 63 2.117 -2.070 -2.138 1.00 52.20 H new ATOM 0 HD1 TYR A 63 1.952 -3.140 -4.895 1.00 60.20 H new ATOM 0 HD2 TYR A 63 1.808 -5.194 -1.164 1.00 62.20 H new ATOM 0 HE1 TYR A 63 0.654 -4.945 -5.939 1.00 53.30 H new ATOM 0 HE2 TYR A 63 0.511 -7.000 -2.208 1.00 2.11 H new ATOM 0 HH TYR A 63 0.334 -7.898 -4.783 1.00 41.20 H new ATOM 975 N LEU A 64 4.891 -0.633 -1.852 1.00 54.40 N ATOM 976 CA LEU A 64 5.187 0.761 -1.543 1.00 13.20 C ATOM 977 C LEU A 64 6.022 1.397 -2.649 1.00 43.40 C ATOM 978 O LEU A 64 5.800 2.548 -3.025 1.00 32.20 O ATOM 979 CB LEU A 64 5.924 0.864 -0.206 1.00 62.00 C ATOM 980 CG LEU A 64 5.023 1.047 1.017 1.00 33.10 C ATOM 981 CD1 LEU A 64 4.602 -0.302 1.577 1.00 43.20 C ATOM 982 CD2 LEU A 64 5.733 1.870 2.082 1.00 20.50 C ATOM 0 H LEU A 64 5.247 -1.301 -1.169 1.00 54.40 H new ATOM 0 HA LEU A 64 4.242 1.300 -1.470 1.00 13.20 H new ATOM 0 HB2 LEU A 64 6.521 -0.037 -0.067 1.00 62.00 H new ATOM 0 HB3 LEU A 64 6.619 1.702 -0.255 1.00 62.00 H new ATOM 0 HG LEU A 64 4.126 1.584 0.707 1.00 33.10 H new ATOM 0 HD11 LEU A 64 3.962 -0.151 2.446 1.00 43.20 H new ATOM 0 HD12 LEU A 64 4.055 -0.857 0.815 1.00 43.20 H new ATOM 0 HD13 LEU A 64 5.487 -0.866 1.872 1.00 43.20 H new ATOM 0 HD21 LEU A 64 5.078 1.991 2.945 1.00 20.50 H new ATOM 0 HD22 LEU A 64 6.646 1.359 2.388 1.00 20.50 H new ATOM 0 HD23 LEU A 64 5.984 2.850 1.677 1.00 20.50 H new ATOM 994 N ASP A 65 6.984 0.641 -3.167 1.00 41.30 N ATOM 995 CA ASP A 65 7.853 1.131 -4.231 1.00 54.40 C ATOM 996 C ASP A 65 7.041 1.504 -5.467 1.00 14.20 C ATOM 997 O ASP A 65 7.175 2.605 -6.001 1.00 4.44 O ATOM 998 CB ASP A 65 8.898 0.073 -4.592 1.00 54.40 C ATOM 999 CG ASP A 65 10.241 0.684 -4.940 1.00 73.40 C ATOM 1000 OD1 ASP A 65 10.798 1.416 -4.095 1.00 30.20 O ATOM 1001 OD2 ASP A 65 10.737 0.429 -6.058 1.00 53.30 O ATOM 0 H ASP A 65 7.182 -0.314 -2.867 1.00 41.30 H new ATOM 0 HA ASP A 65 8.361 2.025 -3.869 1.00 54.40 H new ATOM 0 HB2 ASP A 65 9.020 -0.614 -3.755 1.00 54.40 H new ATOM 0 HB3 ASP A 65 8.539 -0.515 -5.437 1.00 54.40 H new ATOM 1006 N ARG A 66 6.199 0.580 -5.917 1.00 61.20 N ATOM 1007 CA ARG A 66 5.365 0.812 -7.090 1.00 34.10 C ATOM 1008 C ARG A 66 4.357 1.927 -6.829 1.00 52.10 C ATOM 1009 O ARG A 66 4.035 2.708 -7.724 1.00 35.30 O ATOM 1010 CB ARG A 66 4.631 -0.472 -7.482 1.00 72.10 C ATOM 1011 CG ARG A 66 4.455 -0.638 -8.983 1.00 15.40 C ATOM 1012 CD ARG A 66 4.531 -2.099 -9.394 1.00 50.00 C ATOM 1013 NE ARG A 66 3.588 -2.416 -10.460 1.00 0.32 N ATOM 1014 CZ ARG A 66 3.368 -3.648 -10.910 1.00 75.00 C ATOM 1015 NH1 ARG A 66 4.020 -4.681 -10.390 1.00 53.10 N ATOM 1016 NH2 ARG A 66 2.493 -3.849 -11.890 1.00 10.30 N ATOM 0 H ARG A 66 6.076 -0.337 -5.487 1.00 61.20 H new ATOM 0 HA ARG A 66 6.014 1.117 -7.911 1.00 34.10 H new ATOM 0 HB2 ARG A 66 5.181 -1.329 -7.092 1.00 72.10 H new ATOM 0 HB3 ARG A 66 3.650 -0.480 -7.006 1.00 72.10 H new ATOM 0 HG2 ARG A 66 3.494 -0.223 -9.286 1.00 15.40 H new ATOM 0 HG3 ARG A 66 5.225 -0.071 -9.506 1.00 15.40 H new ATOM 0 HD2 ARG A 66 5.543 -2.330 -9.725 1.00 50.00 H new ATOM 0 HD3 ARG A 66 4.326 -2.730 -8.529 1.00 50.00 H new ATOM 0 HE ARG A 66 3.067 -1.649 -10.885 1.00 0.32 H new ATOM 0 HH11 ARG A 66 4.695 -4.533 -9.640 1.00 53.10 H new ATOM 0 HH12 ARG A 66 3.846 -5.623 -10.741 1.00 53.10 H new ATOM 0 HH21 ARG A 66 1.991 -3.059 -12.296 1.00 10.30 H new ATOM 0 HH22 ARG A 66 2.323 -4.793 -12.236 1.00 10.30 H new ATOM 1030 N ALA A 67 3.864 1.994 -5.596 1.00 60.20 N ATOM 1031 CA ALA A 67 2.893 3.014 -5.216 1.00 11.00 C ATOM 1032 C ALA A 67 3.459 4.415 -5.423 1.00 32.30 C ATOM 1033 O ALA A 67 2.848 5.250 -6.090 1.00 63.00 O ATOM 1034 CB ALA A 67 2.467 2.821 -3.768 1.00 33.40 C ATOM 0 H ALA A 67 4.121 1.355 -4.844 1.00 60.20 H new ATOM 0 HA ALA A 67 2.018 2.907 -5.858 1.00 11.00 H new ATOM 0 HB1 ALA A 67 1.742 3.589 -3.497 1.00 33.40 H new ATOM 0 HB2 ALA A 67 2.014 1.836 -3.650 1.00 33.40 H new ATOM 0 HB3 ALA A 67 3.339 2.900 -3.119 1.00 33.40 H new ATOM 1040 N GLU A 68 4.630 4.666 -4.847 1.00 12.20 N ATOM 1041 CA GLU A 68 5.278 5.966 -4.968 1.00 54.50 C ATOM 1042 C GLU A 68 5.553 6.303 -6.430 1.00 44.20 C ATOM 1043 O GLU A 68 5.544 7.470 -6.821 1.00 51.40 O ATOM 1044 CB GLU A 68 6.586 5.983 -4.174 1.00 42.10 C ATOM 1045 CG GLU A 68 7.601 4.958 -4.652 1.00 0.43 C ATOM 1046 CD GLU A 68 9.017 5.298 -4.228 1.00 2.44 C ATOM 1047 OE1 GLU A 68 9.190 5.826 -3.109 1.00 31.20 O ATOM 1048 OE2 GLU A 68 9.951 5.036 -5.014 1.00 3.34 O ATOM 0 H GLU A 68 5.149 3.986 -4.292 1.00 12.20 H new ATOM 0 HA GLU A 68 4.604 6.719 -4.561 1.00 54.50 H new ATOM 0 HB2 GLU A 68 7.028 6.977 -4.239 1.00 42.10 H new ATOM 0 HB3 GLU A 68 6.365 5.800 -3.122 1.00 42.10 H new ATOM 0 HG2 GLU A 68 7.334 3.977 -4.259 1.00 0.43 H new ATOM 0 HG3 GLU A 68 7.558 4.889 -5.739 1.00 0.43 H new ATOM 1055 N LYS A 69 5.796 5.273 -7.234 1.00 11.10 N ATOM 1056 CA LYS A 69 6.073 5.459 -8.653 1.00 52.20 C ATOM 1057 C LYS A 69 4.845 5.997 -9.381 1.00 70.20 C ATOM 1058 O LYS A 69 4.964 6.754 -10.340 1.00 53.50 O ATOM 1059 CB LYS A 69 6.517 4.139 -9.286 1.00 55.50 C ATOM 1060 CG LYS A 69 7.201 4.309 -10.630 1.00 44.00 C ATOM 1061 CD LYS A 69 6.960 3.110 -11.530 1.00 70.20 C ATOM 1062 CE LYS A 69 7.969 3.057 -12.670 1.00 55.20 C ATOM 1063 NZ LYS A 69 9.161 2.238 -12.310 1.00 44.30 N ATOM 0 H LYS A 69 5.807 4.301 -6.926 1.00 11.10 H new ATOM 0 HA LYS A 69 6.878 6.188 -8.747 1.00 52.20 H new ATOM 0 HB2 LYS A 69 7.197 3.629 -8.604 1.00 55.50 H new ATOM 0 HB3 LYS A 69 5.647 3.494 -9.410 1.00 55.50 H new ATOM 0 HG2 LYS A 69 6.831 5.211 -11.117 1.00 44.00 H new ATOM 0 HG3 LYS A 69 8.272 4.444 -10.480 1.00 44.00 H new ATOM 0 HD2 LYS A 69 7.024 2.194 -10.943 1.00 70.20 H new ATOM 0 HD3 LYS A 69 5.950 3.157 -11.938 1.00 70.20 H new ATOM 0 HE2 LYS A 69 7.494 2.639 -13.558 1.00 55.20 H new ATOM 0 HE3 LYS A 69 8.285 4.069 -12.924 1.00 55.20 H new ATOM 0 HZ1 LYS A 69 9.827 2.224 -13.109 1.00 44.30 H new ATOM 0 HZ2 LYS A 69 9.628 2.652 -11.478 1.00 44.30 H new ATOM 0 HZ3 LYS A 69 8.861 1.266 -12.092 1.00 44.30 H new ATOM 1077 N LEU A 70 3.666 5.602 -8.913 1.00 70.40 N ATOM 1078 CA LEU A 70 2.415 6.045 -9.519 1.00 11.50 C ATOM 1079 C LEU A 70 2.135 7.506 -9.180 1.00 50.20 C ATOM 1080 O LEU A 70 1.832 8.311 -10.060 1.00 51.40 O ATOM 1081 CB LEU A 70 1.255 5.168 -9.045 1.00 15.30 C ATOM 1082 CG LEU A 70 1.365 3.690 -9.422 1.00 21.50 C ATOM 1083 CD1 LEU A 70 0.129 2.930 -8.967 1.00 34.10 C ATOM 1084 CD2 LEU A 70 1.565 3.537 -10.920 1.00 61.30 C ATOM 0 H LEU A 70 3.550 4.976 -8.116 1.00 70.40 H new ATOM 0 HA LEU A 70 2.511 5.953 -10.601 1.00 11.50 H new ATOM 0 HB2 LEU A 70 1.180 5.246 -7.960 1.00 15.30 H new ATOM 0 HB3 LEU A 70 0.327 5.565 -9.458 1.00 15.30 H new ATOM 0 HG LEU A 70 2.233 3.268 -8.915 1.00 21.50 H new ATOM 0 HD11 LEU A 70 0.225 1.880 -9.244 1.00 34.10 H new ATOM 0 HD12 LEU A 70 0.029 3.012 -7.885 1.00 34.10 H new ATOM 0 HD13 LEU A 70 -0.754 3.352 -9.446 1.00 34.10 H new ATOM 0 HD21 LEU A 70 1.641 2.479 -11.171 1.00 61.30 H new ATOM 0 HD22 LEU A 70 0.717 3.975 -11.447 1.00 61.30 H new ATOM 0 HD23 LEU A 70 2.480 4.048 -11.219 1.00 61.30 H new ATOM 1096 N LYS A 71 2.238 7.841 -7.898 1.00 34.00 N ATOM 1097 CA LYS A 71 1.996 9.205 -7.443 1.00 55.40 C ATOM 1098 C LYS A 71 2.958 10.181 -8.113 1.00 42.40 C ATOM 1099 O LYS A 71 2.619 11.341 -8.347 1.00 43.40 O ATOM 1100 CB LYS A 71 2.140 9.291 -5.923 1.00 22.50 C ATOM 1101 CG LYS A 71 1.181 10.276 -5.275 1.00 73.40 C ATOM 1102 CD LYS A 71 1.332 11.670 -5.864 1.00 43.30 C ATOM 1103 CE LYS A 71 0.567 12.703 -5.052 1.00 73.10 C ATOM 1104 NZ LYS A 71 1.419 13.327 -4.002 1.00 43.20 N ATOM 0 H LYS A 71 2.487 7.187 -7.156 1.00 34.00 H new ATOM 0 HA LYS A 71 0.978 9.479 -7.720 1.00 55.40 H new ATOM 0 HB2 LYS A 71 1.976 8.302 -5.495 1.00 22.50 H new ATOM 0 HB3 LYS A 71 3.163 9.579 -5.679 1.00 22.50 H new ATOM 0 HG2 LYS A 71 0.156 9.931 -5.412 1.00 73.40 H new ATOM 0 HG3 LYS A 71 1.365 10.312 -4.201 1.00 73.40 H new ATOM 0 HD2 LYS A 71 2.388 11.940 -5.897 1.00 43.30 H new ATOM 0 HD3 LYS A 71 0.970 11.673 -6.892 1.00 43.30 H new ATOM 0 HE2 LYS A 71 0.185 13.477 -5.717 1.00 73.10 H new ATOM 0 HE3 LYS A 71 -0.297 12.230 -4.585 1.00 73.10 H new ATOM 0 HZ1 LYS A 71 0.860 14.025 -3.471 1.00 43.20 H new ATOM 0 HZ2 LYS A 71 1.763 12.592 -3.352 1.00 43.20 H new ATOM 0 HZ3 LYS A 71 2.230 13.800 -4.449 1.00 43.20 H new ATOM 1118 N ASP A 72 4.160 9.703 -8.419 1.00 30.40 N ATOM 1119 CA ASP A 72 5.172 10.533 -9.062 1.00 44.00 C ATOM 1120 C ASP A 72 4.956 10.582 -10.570 1.00 64.30 C ATOM 1121 O ASP A 72 5.269 11.580 -11.220 1.00 13.40 O ATOM 1122 CB ASP A 72 6.571 9.998 -8.753 1.00 31.30 C ATOM 1123 CG ASP A 72 7.603 11.104 -8.651 1.00 72.20 C ATOM 1124 OD1 ASP A 72 7.876 11.758 -9.679 1.00 34.20 O ATOM 1125 OD2 ASP A 72 8.138 11.316 -7.542 1.00 62.40 O ATOM 0 H ASP A 72 4.457 8.745 -8.232 1.00 30.40 H new ATOM 0 HA ASP A 72 5.082 11.545 -8.667 1.00 44.00 H new ATOM 0 HB2 ASP A 72 6.545 9.441 -7.816 1.00 31.30 H new ATOM 0 HB3 ASP A 72 6.869 9.297 -9.533 1.00 31.30 H new ATOM 1130 N TYR A 73 4.418 9.499 -11.120 1.00 71.40 N ATOM 1131 CA TYR A 73 4.160 9.420 -12.550 1.00 43.30 C ATOM 1132 C TYR A 73 3.197 10.518 -12.990 1.00 34.10 C ATOM 1133 O TYR A 73 3.334 11.076 -14.080 1.00 61.30 O ATOM 1134 CB TYR A 73 3.586 8.048 -12.910 1.00 21.20 C ATOM 1135 CG TYR A 73 3.325 7.870 -14.390 1.00 13.20 C ATOM 1136 CD1 TYR A 73 4.332 7.443 -15.250 1.00 73.00 C ATOM 1137 CD2 TYR A 73 2.071 8.129 -14.930 1.00 21.50 C ATOM 1138 CE1 TYR A 73 4.097 7.280 -16.600 1.00 35.30 C ATOM 1139 CE2 TYR A 73 1.828 7.967 -16.280 1.00 61.50 C ATOM 1140 CZ TYR A 73 2.844 7.543 -17.110 1.00 10.10 C ATOM 1141 OH TYR A 73 2.606 7.381 -18.460 1.00 44.10 O ATOM 0 H TYR A 73 4.153 8.665 -10.596 1.00 71.40 H new ATOM 0 HA TYR A 73 5.106 9.560 -13.073 1.00 43.30 H new ATOM 0 HB2 TYR A 73 4.278 7.275 -12.576 1.00 21.20 H new ATOM 0 HB3 TYR A 73 2.654 7.899 -12.365 1.00 21.20 H new ATOM 0 HD1 TYR A 73 5.315 7.235 -14.854 1.00 73.00 H new ATOM 0 HD2 TYR A 73 1.273 8.463 -14.283 1.00 21.50 H new ATOM 0 HE1 TYR A 73 4.891 6.948 -17.253 1.00 35.30 H new ATOM 0 HE2 TYR A 73 0.847 8.171 -16.683 1.00 61.50 H new ATOM 0 HH TYR A 73 1.673 7.607 -18.657 1.00 44.10 H new ATOM 1151 N LEU A 74 2.225 10.824 -12.140 1.00 1.05 N ATOM 1152 CA LEU A 74 1.240 11.855 -12.440 1.00 14.20 C ATOM 1153 C LEU A 74 1.777 13.240 -12.090 1.00 40.30 C ATOM 1154 O LEU A 74 1.563 14.203 -12.830 1.00 63.20 O ATOM 1155 CB LEU A 74 -0.058 11.591 -11.680 1.00 72.10 C ATOM 1156 CG LEU A 74 -0.957 10.511 -12.280 1.00 2.34 C ATOM 1157 CD1 LEU A 74 -1.720 9.781 -11.180 1.00 12.30 C ATOM 1158 CD2 LEU A 74 -1.920 11.122 -13.290 1.00 62.20 C ATOM 0 H LEU A 74 2.098 10.371 -11.235 1.00 1.05 H new ATOM 0 HA LEU A 74 1.036 11.824 -13.510 1.00 14.20 H new ATOM 0 HB2 LEU A 74 0.190 11.307 -10.657 1.00 72.10 H new ATOM 0 HB3 LEU A 74 -0.623 12.521 -11.624 1.00 72.10 H new ATOM 0 HG LEU A 74 -0.330 9.786 -12.800 1.00 2.34 H new ATOM 0 HD11 LEU A 74 -2.356 9.015 -11.625 1.00 12.30 H new ATOM 0 HD12 LEU A 74 -1.013 9.313 -10.496 1.00 12.30 H new ATOM 0 HD13 LEU A 74 -2.338 10.492 -10.632 1.00 12.30 H new ATOM 0 HD21 LEU A 74 -2.553 10.340 -13.708 1.00 62.20 H new ATOM 0 HD22 LEU A 74 -2.543 11.867 -12.794 1.00 62.20 H new ATOM 0 HD23 LEU A 74 -1.354 11.597 -14.091 1.00 62.20 H new ATOM 1170 N ARG A 75 2.477 13.331 -10.970 1.00 30.00 N ATOM 1171 CA ARG A 75 3.046 14.597 -10.520 1.00 53.40 C ATOM 1172 C ARG A 75 4.061 15.123 -11.530 1.00 10.30 C ATOM 1173 O ARG A 75 4.223 16.333 -11.690 1.00 73.40 O ATOM 1174 CB ARG A 75 3.709 14.429 -9.158 1.00 22.10 C ATOM 1175 CG ARG A 75 3.624 15.670 -8.284 1.00 43.20 C ATOM 1176 CD ARG A 75 3.483 15.308 -6.814 1.00 61.10 C ATOM 1177 NE ARG A 75 2.577 16.213 -6.112 1.00 70.40 N ATOM 1178 CZ ARG A 75 2.832 17.502 -5.903 1.00 63.30 C ATOM 1179 NH1 ARG A 75 3.963 18.042 -6.340 1.00 62.40 N ATOM 1180 NH2 ARG A 75 1.953 18.255 -5.255 1.00 41.30 N ATOM 0 H ARG A 75 2.667 12.542 -10.352 1.00 30.00 H new ATOM 0 HA ARG A 75 2.235 15.320 -10.432 1.00 53.40 H new ATOM 0 HB2 ARG A 75 3.242 13.594 -8.636 1.00 22.10 H new ATOM 0 HB3 ARG A 75 4.757 14.168 -9.303 1.00 22.10 H new ATOM 0 HG2 ARG A 75 4.517 16.278 -8.426 1.00 43.20 H new ATOM 0 HG3 ARG A 75 2.773 16.277 -8.594 1.00 43.20 H new ATOM 0 HD2 ARG A 75 3.114 14.286 -6.726 1.00 61.10 H new ATOM 0 HD3 ARG A 75 4.463 15.335 -6.338 1.00 61.10 H new ATOM 0 HE ARG A 75 1.697 15.835 -5.761 1.00 70.40 H new ATOM 0 HH11 ARG A 75 4.643 17.468 -6.839 1.00 62.40 H new ATOM 0 HH12 ARG A 75 4.153 19.031 -6.177 1.00 62.40 H new ATOM 0 HH21 ARG A 75 1.082 17.846 -4.917 1.00 41.30 H new ATOM 0 HH22 ARG A 75 2.148 19.243 -5.095 1.00 41.30 H new ATOM 1195 N GLU B 115 10.192 -4.357 9.135 1.00 1.53 N ATOM 1196 CA GLU B 115 8.811 -3.895 9.046 1.00 65.10 C ATOM 1197 C GLU B 115 8.731 -2.382 9.215 1.00 52.50 C ATOM 1198 O GLU B 115 7.856 -1.729 8.645 1.00 54.30 O ATOM 1199 CB GLU B 115 7.952 -4.585 10.108 1.00 32.20 C ATOM 1200 CG GLU B 115 6.504 -4.778 9.687 1.00 21.30 C ATOM 1201 CD GLU B 115 5.573 -3.761 10.317 1.00 64.20 C ATOM 1202 OE1 GLU B 115 5.609 -3.612 11.557 1.00 72.10 O ATOM 1203 OE2 GLU B 115 4.809 -3.113 9.571 1.00 12.40 O ATOM 0 HA GLU B 115 8.431 -4.152 8.057 1.00 65.10 H new ATOM 0 HB2 GLU B 115 8.387 -5.557 10.340 1.00 32.20 H new ATOM 0 HB3 GLU B 115 7.980 -3.996 11.025 1.00 32.20 H new ATOM 0 HG2 GLU B 115 6.433 -4.707 8.602 1.00 21.30 H new ATOM 0 HG3 GLU B 115 6.180 -5.782 9.963 1.00 21.30 H new ATOM 1210 N ASP B 116 9.648 -1.830 10.002 1.00 4.35 N ATOM 1211 CA ASP B 116 9.681 -0.392 10.246 1.00 33.30 C ATOM 1212 C ASP B 116 10.113 0.365 8.993 1.00 31.30 C ATOM 1213 O ASP B 116 9.711 1.508 8.778 1.00 41.40 O ATOM 1214 CB ASP B 116 10.632 -0.072 11.401 1.00 53.30 C ATOM 1215 CG ASP B 116 10.409 1.317 11.965 1.00 25.50 C ATOM 1216 OD1 ASP B 116 9.393 1.518 12.664 1.00 31.40 O ATOM 1217 OD2 ASP B 116 11.250 2.204 11.709 1.00 53.40 O ATOM 0 H ASP B 116 10.378 -2.356 10.482 1.00 4.35 H new ATOM 0 HA ASP B 116 8.674 -0.072 10.512 1.00 33.30 H new ATOM 0 HB2 ASP B 116 10.498 -0.809 12.193 1.00 53.30 H new ATOM 0 HB3 ASP B 116 11.662 -0.160 11.055 1.00 53.30 H new ATOM 1222 N GLN B 117 10.934 -0.280 8.170 1.00 15.10 N ATOM 1223 CA GLN B 117 11.420 0.333 6.940 1.00 12.40 C ATOM 1224 C GLN B 117 10.260 0.718 6.026 1.00 41.30 C ATOM 1225 O GLN B 117 10.081 1.890 5.694 1.00 35.50 O ATOM 1226 CB GLN B 117 12.364 -0.622 6.208 1.00 24.20 C ATOM 1227 CG GLN B 117 13.057 0.006 5.009 1.00 64.40 C ATOM 1228 CD GLN B 117 14.508 -0.415 4.888 1.00 5.53 C ATOM 1229 OE1 GLN B 117 14.810 -1.532 4.468 1.00 63.40 O ATOM 1230 NE2 GLN B 117 15.417 0.480 5.258 1.00 50.00 N ATOM 0 H GLN B 117 11.276 -1.227 8.333 1.00 15.10 H new ATOM 0 HA GLN B 117 11.964 1.239 7.207 1.00 12.40 H new ATOM 0 HB2 GLN B 117 13.120 -0.980 6.908 1.00 24.20 H new ATOM 0 HB3 GLN B 117 11.800 -1.493 5.876 1.00 24.20 H new ATOM 0 HG2 GLN B 117 12.525 -0.272 4.099 1.00 64.40 H new ATOM 0 HG3 GLN B 117 13.003 1.092 5.090 1.00 64.40 H new ATOM 0 HE21 GLN B 117 15.122 1.395 5.600 1.00 50.00 H new ATOM 0 HE22 GLN B 117 16.410 0.253 5.200 1.00 50.00 H new ATOM 1239 N LEU B 118 9.475 -0.276 5.623 1.00 3.24 N ATOM 1240 CA LEU B 118 8.332 -0.040 4.748 1.00 71.50 C ATOM 1241 C LEU B 118 7.221 0.696 5.489 1.00 2.54 C ATOM 1242 O LEU B 118 6.460 1.457 4.889 1.00 32.00 O ATOM 1243 CB LEU B 118 7.803 -1.366 4.196 1.00 70.10 C ATOM 1244 CG LEU B 118 7.237 -2.325 5.245 1.00 44.30 C ATOM 1245 CD1 LEU B 118 6.055 -3.097 4.680 1.00 65.30 C ATOM 1246 CD2 LEU B 118 8.317 -3.280 5.730 1.00 71.20 C ATOM 0 H LEU B 118 9.609 -1.252 5.888 1.00 3.24 H new ATOM 0 HA LEU B 118 8.664 0.584 3.918 1.00 71.50 H new ATOM 0 HB2 LEU B 118 7.024 -1.152 3.464 1.00 70.10 H new ATOM 0 HB3 LEU B 118 8.611 -1.869 3.665 1.00 70.10 H new ATOM 0 HG LEU B 118 6.888 -1.739 6.095 1.00 44.30 H new ATOM 0 HD11 LEU B 118 5.666 -3.774 5.440 1.00 65.30 H new ATOM 0 HD12 LEU B 118 5.273 -2.398 4.382 1.00 65.30 H new ATOM 0 HD13 LEU B 118 6.378 -3.673 3.812 1.00 65.30 H new ATOM 0 HD21 LEU B 118 7.897 -3.955 6.476 1.00 71.20 H new ATOM 0 HD22 LEU B 118 8.695 -3.859 4.888 1.00 71.20 H new ATOM 0 HD23 LEU B 118 9.133 -2.711 6.174 1.00 71.20 H new ATOM 1258 N SER B 119 7.131 0.466 6.795 1.00 54.40 N ATOM 1259 CA SER B 119 6.112 1.109 7.616 1.00 11.00 C ATOM 1260 C SER B 119 6.343 2.615 7.690 1.00 22.40 C ATOM 1261 O SER B 119 5.395 3.399 7.692 1.00 54.50 O ATOM 1262 CB SER B 119 6.110 0.511 9.024 1.00 23.40 C ATOM 1263 OG SER B 119 5.573 -0.800 9.021 1.00 4.13 O ATOM 0 H SER B 119 7.752 -0.161 7.307 1.00 54.40 H new ATOM 0 HA SER B 119 5.142 0.931 7.152 1.00 11.00 H new ATOM 0 HB2 SER B 119 7.127 0.490 9.415 1.00 23.40 H new ATOM 0 HB3 SER B 119 5.526 1.145 9.691 1.00 23.40 H new ATOM 0 HG SER B 119 6.287 -1.447 9.200 1.00 4.13 H new ATOM 1269 N ARG B 120 7.610 3.011 7.751 1.00 72.20 N ATOM 1270 CA ARG B 120 7.966 4.423 7.825 1.00 3.21 C ATOM 1271 C ARG B 120 7.656 5.133 6.511 1.00 0.14 C ATOM 1272 O ARG B 120 7.119 6.241 6.504 1.00 71.40 O ATOM 1273 CB ARG B 120 9.450 4.580 8.164 1.00 12.30 C ATOM 1274 CG ARG B 120 9.775 5.875 8.889 1.00 51.10 C ATOM 1275 CD ARG B 120 10.990 5.719 9.790 1.00 41.10 C ATOM 1276 NE ARG B 120 11.417 6.995 10.359 1.00 11.00 N ATOM 1277 CZ ARG B 120 10.821 7.582 11.395 1.00 33.40 C ATOM 1278 NH1 ARG B 120 9.774 7.011 11.978 1.00 11.40 N ATOM 1279 NH2 ARG B 120 11.274 8.742 11.850 1.00 42.40 N ATOM 0 H ARG B 120 8.407 2.374 7.751 1.00 72.20 H new ATOM 0 HA ARG B 120 7.369 4.880 8.614 1.00 3.21 H new ATOM 0 HB2 ARG B 120 9.764 3.739 8.782 1.00 12.30 H new ATOM 0 HB3 ARG B 120 10.031 4.533 7.243 1.00 12.30 H new ATOM 0 HG2 ARG B 120 9.960 6.665 8.161 1.00 51.10 H new ATOM 0 HG3 ARG B 120 8.916 6.185 9.485 1.00 51.10 H new ATOM 0 HD2 ARG B 120 10.757 5.023 10.596 1.00 41.10 H new ATOM 0 HD3 ARG B 120 11.811 5.284 9.220 1.00 41.10 H new ATOM 0 HE ARG B 120 12.219 7.464 9.938 1.00 11.00 H new ATOM 0 HH11 ARG B 120 9.422 6.118 11.633 1.00 11.40 H new ATOM 0 HH12 ARG B 120 9.321 7.465 12.771 1.00 11.40 H new ATOM 0 HH21 ARG B 120 12.079 9.185 11.406 1.00 42.40 H new ATOM 0 HH22 ARG B 120 10.818 9.192 12.644 1.00 42.40 H new ATOM 1293 N ARG B 121 7.997 4.486 5.401 1.00 32.40 N ATOM 1294 CA ARG B 121 7.754 5.055 4.080 1.00 14.30 C ATOM 1295 C ARG B 121 6.258 5.181 3.809 1.00 14.50 C ATOM 1296 O ARG B 121 5.813 6.127 3.159 1.00 3.03 O ATOM 1297 CB ARG B 121 8.408 4.191 3.001 1.00 0.23 C ATOM 1298 CG ARG B 121 9.897 3.974 3.216 1.00 44.20 C ATOM 1299 CD ARG B 121 10.350 2.632 2.665 1.00 42.30 C ATOM 1300 NE ARG B 121 11.700 2.695 2.111 1.00 73.10 N ATOM 1301 CZ ARG B 121 11.986 3.189 0.908 1.00 34.10 C ATOM 1302 NH1 ARG B 121 11.020 3.664 0.132 1.00 41.30 N ATOM 1303 NH2 ARG B 121 13.241 3.208 0.481 1.00 41.40 N ATOM 0 H ARG B 121 8.442 3.568 5.390 1.00 32.40 H new ATOM 0 HA ARG B 121 8.195 6.051 4.054 1.00 14.30 H new ATOM 0 HB2 ARG B 121 7.909 3.223 2.971 1.00 0.23 H new ATOM 0 HB3 ARG B 121 8.254 4.660 2.029 1.00 0.23 H new ATOM 0 HG2 ARG B 121 10.456 4.775 2.732 1.00 44.20 H new ATOM 0 HG3 ARG B 121 10.123 4.026 4.281 1.00 44.20 H new ATOM 0 HD2 ARG B 121 10.318 1.885 3.458 1.00 42.30 H new ATOM 0 HD3 ARG B 121 9.656 2.305 1.891 1.00 42.30 H new ATOM 0 HE ARG B 121 12.469 2.340 2.679 1.00 73.10 H new ATOM 0 HH11 ARG B 121 10.053 3.652 0.456 1.00 41.30 H new ATOM 0 HH12 ARG B 121 11.245 4.041 -0.789 1.00 41.30 H new ATOM 0 HH21 ARG B 121 13.987 2.844 1.074 1.00 41.40 H new ATOM 0 HH22 ARG B 121 13.461 3.586 -0.440 1.00 41.40 H new ATOM 1317 N LEU B 122 5.488 4.222 4.311 1.00 1.41 N ATOM 1318 CA LEU B 122 4.042 4.226 4.123 1.00 61.20 C ATOM 1319 C LEU B 122 3.418 5.481 4.725 1.00 44.20 C ATOM 1320 O LEU B 122 2.626 6.165 4.077 1.00 24.20 O ATOM 1321 CB LEU B 122 3.421 2.979 4.757 1.00 24.40 C ATOM 1322 CG LEU B 122 2.103 2.522 4.129 1.00 24.00 C ATOM 1323 CD1 LEU B 122 1.925 1.021 4.295 1.00 74.20 C ATOM 1324 CD2 LEU B 122 0.932 3.272 4.746 1.00 32.10 C ATOM 0 H LEU B 122 5.841 3.432 4.851 1.00 1.41 H new ATOM 0 HA LEU B 122 3.840 4.220 3.052 1.00 61.20 H new ATOM 0 HB2 LEU B 122 4.139 2.161 4.693 1.00 24.40 H new ATOM 0 HB3 LEU B 122 3.253 3.174 5.816 1.00 24.40 H new ATOM 0 HG LEU B 122 2.132 2.747 3.063 1.00 24.00 H new ATOM 0 HD11 LEU B 122 0.982 0.714 3.842 1.00 74.20 H new ATOM 0 HD12 LEU B 122 2.749 0.501 3.806 1.00 74.20 H new ATOM 0 HD13 LEU B 122 1.916 0.771 5.356 1.00 74.20 H new ATOM 0 HD21 LEU B 122 0.002 2.935 4.288 1.00 32.10 H new ATOM 0 HD22 LEU B 122 0.900 3.078 5.818 1.00 32.10 H new ATOM 0 HD23 LEU B 122 1.054 4.342 4.575 1.00 32.10 H new ATOM 1336 N ALA B 123 3.782 5.777 5.969 1.00 20.30 N ATOM 1337 CA ALA B 123 3.258 6.950 6.658 1.00 30.10 C ATOM 1338 C ALA B 123 3.614 8.231 5.911 1.00 3.44 C ATOM 1339 O ALA B 123 2.817 9.167 5.848 1.00 43.20 O ATOM 1340 CB ALA B 123 3.789 7.004 8.083 1.00 2.20 C ATOM 0 H ALA B 123 4.437 5.221 6.519 1.00 20.30 H new ATOM 0 HA ALA B 123 2.171 6.868 6.688 1.00 30.10 H new ATOM 0 HB1 ALA B 123 3.390 7.885 8.587 1.00 2.20 H new ATOM 0 HB2 ALA B 123 3.480 6.107 8.621 1.00 2.20 H new ATOM 0 HB3 ALA B 123 4.877 7.059 8.064 1.00 2.20 H new ATOM 1346 N ALA B 124 4.816 8.264 5.344 1.00 21.30 N ATOM 1347 CA ALA B 124 5.277 9.430 4.600 1.00 2.22 C ATOM 1348 C ALA B 124 4.509 9.585 3.292 1.00 13.20 C ATOM 1349 O ALA B 124 4.297 10.700 2.813 1.00 63.20 O ATOM 1350 CB ALA B 124 6.770 9.325 4.328 1.00 3.04 C ATOM 0 H ALA B 124 5.487 7.497 5.386 1.00 21.30 H new ATOM 0 HA ALA B 124 5.091 10.316 5.208 1.00 2.22 H new ATOM 0 HB1 ALA B 124 7.101 10.202 3.772 1.00 3.04 H new ATOM 0 HB2 ALA B 124 7.309 9.270 5.274 1.00 3.04 H new ATOM 0 HB3 ALA B 124 6.971 8.427 3.743 1.00 3.04 H new ATOM 1356 N LEU B 125 4.093 8.461 2.719 1.00 53.10 N ATOM 1357 CA LEU B 125 3.348 8.472 1.465 1.00 73.20 C ATOM 1358 C LEU B 125 2.036 9.236 1.619 1.00 53.50 C ATOM 1359 O LEU B 125 1.751 10.160 0.857 1.00 3.04 O ATOM 1360 CB LEU B 125 3.067 7.042 1.001 1.00 53.30 C ATOM 1361 CG LEU B 125 3.059 6.843 -0.515 1.00 5.23 C ATOM 1362 CD1 LEU B 125 4.463 6.555 -1.023 1.00 12.10 C ATOM 1363 CD2 LEU B 125 2.109 5.718 -0.899 1.00 72.30 C ATOM 0 H LEU B 125 4.259 7.531 3.103 1.00 53.10 H new ATOM 0 HA LEU B 125 3.956 8.977 0.714 1.00 73.20 H new ATOM 0 HB2 LEU B 125 3.818 6.381 1.435 1.00 53.30 H new ATOM 0 HB3 LEU B 125 2.101 6.731 1.398 1.00 53.30 H new ATOM 0 HG LEU B 125 2.708 7.763 -0.982 1.00 5.23 H new ATOM 0 HD11 LEU B 125 4.438 6.416 -2.104 1.00 12.10 H new ATOM 0 HD12 LEU B 125 5.117 7.393 -0.780 1.00 12.10 H new ATOM 0 HD13 LEU B 125 4.843 5.649 -0.550 1.00 12.10 H new ATOM 0 HD21 LEU B 125 2.116 5.590 -1.981 1.00 72.30 H new ATOM 0 HD22 LEU B 125 2.430 4.792 -0.422 1.00 72.30 H new ATOM 0 HD23 LEU B 125 1.100 5.965 -0.569 1.00 72.30 H new