USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.98!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -168:sc= -1.92! USER MOD Single : A 23 HIS :FLIP no HE2:sc= -17! C(o=-18!,f=-17!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.177) USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= 0.0746 (180deg=-1.11!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -115:sc= -11.6! (180deg=-16.8!) USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.708 (180deg=-1.59) USER MOD Single : A 41 HIS : no HE2:sc= -2.37! C(o=-2.4!,f=-3!) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 0.18 (180deg=0.18) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -69:sc= 0.905 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.138) USER MOD Single : A 54 LYS NZ :NH3+ -146:sc= -0.0694 (180deg=-0.639) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -5.15 K(o=-5.1,f=-13!) USER MOD Single : A 62 TYR OH : rot 43:sc= 0.3 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 174 MET CE :methyl -134:sc= 0 (180deg=-1.41!) USER MOD Single : B 176 THR OG1 : rot 180:sc= -0.0952 USER MOD Single : B 185 ASN :FLIP amide:sc= -0.565 F(o=-1.7!,f=-0.57) USER MOD Single : B 190 GLN : amide:sc= -0.0254 K(o=-0.025,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 9 7.020 26.457 6.427 1.00 0.00 N ATOM 2 CA GLN A 9 5.875 27.155 7.075 1.00 0.00 C ATOM 3 C GLN A 9 4.658 26.231 7.092 1.00 0.00 C ATOM 4 O GLN A 9 4.352 25.606 8.089 1.00 0.00 O ATOM 5 CB GLN A 9 5.540 28.426 6.289 1.00 0.00 C ATOM 6 CG GLN A 9 5.657 29.640 7.212 1.00 0.00 C ATOM 7 CD GLN A 9 7.012 30.317 6.998 1.00 0.00 C ATOM 8 OE1 GLN A 9 7.475 30.437 5.881 1.00 0.00 O ATOM 9 NE2 GLN A 9 7.672 30.769 8.029 1.00 0.00 N ATOM 0 HA GLN A 9 6.144 27.421 8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.218 28.532 5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.531 28.360 5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.851 30.344 7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.554 29.330 8.252 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.284 30.669 8.967 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.576 31.223 7.897 1.00 0.00 H new ATOM 18 N GLY A 10 3.959 26.139 5.996 1.00 0.00 N ATOM 19 CA GLY A 10 2.760 25.256 5.945 1.00 0.00 C ATOM 20 C GLY A 10 1.509 26.108 5.725 1.00 0.00 C ATOM 21 O GLY A 10 1.078 26.320 4.610 1.00 0.00 O ATOM 0 H GLY A 10 4.166 26.638 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.864 24.529 5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.670 24.692 6.874 1.00 0.00 H new ATOM 25 N ASP A 11 0.925 26.600 6.784 1.00 0.00 N ATOM 26 CA ASP A 11 -0.297 27.441 6.643 1.00 0.00 C ATOM 27 C ASP A 11 -1.436 26.610 6.055 1.00 0.00 C ATOM 28 O ASP A 11 -1.366 25.400 5.985 1.00 0.00 O ATOM 29 CB ASP A 11 -0.005 28.612 5.709 1.00 0.00 C ATOM 30 CG ASP A 11 0.927 29.605 6.409 1.00 0.00 C ATOM 31 OD1 ASP A 11 0.424 30.465 7.112 1.00 0.00 O ATOM 32 OD2 ASP A 11 2.128 29.487 6.228 1.00 0.00 O ATOM 0 H ASP A 11 1.243 26.455 7.742 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.587 27.813 7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.456 28.251 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.935 29.106 5.427 1.00 0.00 H new ATOM 37 N ILE A 12 -2.487 27.255 5.635 1.00 0.00 N ATOM 38 CA ILE A 12 -3.635 26.508 5.054 1.00 0.00 C ATOM 39 C ILE A 12 -3.257 25.966 3.674 1.00 0.00 C ATOM 40 O ILE A 12 -2.705 26.661 2.844 1.00 0.00 O ATOM 41 CB ILE A 12 -4.847 27.435 4.933 1.00 0.00 C ATOM 42 CG1 ILE A 12 -5.010 28.231 6.229 1.00 0.00 C ATOM 43 CG2 ILE A 12 -6.105 26.599 4.688 1.00 0.00 C ATOM 44 CD1 ILE A 12 -5.099 27.267 7.413 1.00 0.00 C ATOM 0 H ILE A 12 -2.601 28.268 5.669 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.886 25.673 5.708 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.698 28.122 4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.166 28.908 6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.908 28.847 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.969 27.258 4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.990 26.030 3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.254 25.913 5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.215 27.835 8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.957 26.608 7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.188 26.671 7.466 1.00 0.00 H new ATOM 56 N VAL A 13 -3.556 24.720 3.436 1.00 0.00 N ATOM 57 CA VAL A 13 -3.234 24.088 2.126 1.00 0.00 C ATOM 58 C VAL A 13 -4.475 23.358 1.618 1.00 0.00 C ATOM 59 O VAL A 13 -5.377 23.060 2.375 1.00 0.00 O ATOM 60 CB VAL A 13 -2.104 23.076 2.321 1.00 0.00 C ATOM 61 CG1 VAL A 13 -0.761 23.809 2.332 1.00 0.00 C ATOM 62 CG2 VAL A 13 -2.298 22.346 3.651 1.00 0.00 C ATOM 0 H VAL A 13 -4.017 24.103 4.104 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.925 24.849 1.409 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.117 22.353 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.045 23.089 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.623 24.330 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.747 24.531 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.493 21.624 3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.284 23.068 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.255 21.825 3.644 1.00 0.00 H new ATOM 72 N VAL A 14 -4.537 23.054 0.351 1.00 0.00 N ATOM 73 CA VAL A 14 -5.736 22.331 -0.160 1.00 0.00 C ATOM 74 C VAL A 14 -5.305 20.996 -0.770 1.00 0.00 C ATOM 75 O VAL A 14 -4.306 20.903 -1.456 1.00 0.00 O ATOM 76 CB VAL A 14 -6.457 23.179 -1.209 1.00 0.00 C ATOM 77 CG1 VAL A 14 -5.625 23.218 -2.492 1.00 0.00 C ATOM 78 CG2 VAL A 14 -7.827 22.569 -1.507 1.00 0.00 C ATOM 0 H VAL A 14 -3.822 23.270 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.421 22.145 0.667 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.587 24.192 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.138 23.822 -3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.649 23.655 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.494 22.205 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.340 23.174 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.699 21.555 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.420 22.542 -0.593 1.00 0.00 H new ATOM 88 N ALA A 15 -6.050 19.957 -0.508 1.00 0.00 N ATOM 89 CA ALA A 15 -5.692 18.616 -1.048 1.00 0.00 C ATOM 90 C ALA A 15 -5.949 18.567 -2.556 1.00 0.00 C ATOM 91 O ALA A 15 -6.989 18.971 -3.035 1.00 0.00 O ATOM 92 CB ALA A 15 -6.547 17.547 -0.357 1.00 0.00 C ATOM 0 H ALA A 15 -6.896 19.980 0.061 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.635 18.429 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.288 16.564 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.360 17.570 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.602 17.747 -0.546 1.00 0.00 H new ATOM 98 N LEU A 16 -5.011 18.050 -3.301 1.00 0.00 N ATOM 99 CA LEU A 16 -5.198 17.942 -4.775 1.00 0.00 C ATOM 100 C LEU A 16 -5.637 16.514 -5.096 1.00 0.00 C ATOM 101 O LEU A 16 -6.073 16.208 -6.188 1.00 0.00 O ATOM 102 CB LEU A 16 -3.876 18.245 -5.485 1.00 0.00 C ATOM 103 CG LEU A 16 -3.297 19.556 -4.947 1.00 0.00 C ATOM 104 CD1 LEU A 16 -1.847 19.701 -5.412 1.00 0.00 C ATOM 105 CD2 LEU A 16 -4.122 20.732 -5.474 1.00 0.00 C ATOM 0 H LEU A 16 -4.120 17.697 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.951 18.654 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.170 17.430 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.037 18.320 -6.560 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.330 19.548 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.434 20.634 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.259 18.863 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.813 19.709 -6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.710 21.666 -5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.089 20.740 -6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.155 20.629 -5.143 1.00 0.00 H new ATOM 117 N TYR A 17 -5.521 15.640 -4.134 1.00 0.00 N ATOM 118 CA TYR A 17 -5.921 14.222 -4.333 1.00 0.00 C ATOM 119 C TYR A 17 -6.181 13.602 -2.962 1.00 0.00 C ATOM 120 O TYR A 17 -5.631 14.040 -1.971 1.00 0.00 O ATOM 121 CB TYR A 17 -4.781 13.461 -5.011 1.00 0.00 C ATOM 122 CG TYR A 17 -4.294 14.227 -6.216 1.00 0.00 C ATOM 123 CD1 TYR A 17 -4.982 14.136 -7.431 1.00 0.00 C ATOM 124 CD2 TYR A 17 -3.147 15.024 -6.118 1.00 0.00 C ATOM 125 CE1 TYR A 17 -4.523 14.842 -8.549 1.00 0.00 C ATOM 126 CE2 TYR A 17 -2.688 15.729 -7.234 1.00 0.00 C ATOM 127 CZ TYR A 17 -3.376 15.639 -8.451 1.00 0.00 C ATOM 128 OH TYR A 17 -2.924 16.336 -9.553 1.00 0.00 O ATOM 0 H TYR A 17 -5.160 15.854 -3.204 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.814 14.169 -4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.962 13.315 -4.307 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.123 12.471 -5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.867 13.521 -7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.617 15.094 -5.180 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.053 14.772 -9.487 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.803 16.343 -7.158 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.118 16.840 -9.313 1.00 0.00 H new ATOM 138 N PRO A 18 -7.013 12.555 -2.892 1.00 0.00 N ATOM 139 CA PRO A 18 -7.303 11.886 -1.623 1.00 0.00 C ATOM 140 C PRO A 18 -6.033 11.235 -1.082 1.00 0.00 C ATOM 141 O PRO A 18 -5.163 10.849 -1.838 1.00 0.00 O ATOM 142 CB PRO A 18 -8.357 10.843 -1.995 1.00 0.00 C ATOM 143 CG PRO A 18 -8.135 10.606 -3.452 1.00 0.00 C ATOM 144 CD PRO A 18 -7.730 11.939 -4.019 1.00 0.00 C ATOM 0 HA PRO A 18 -7.655 12.560 -0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.232 9.927 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.365 11.208 -1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.359 9.858 -3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.041 10.234 -3.932 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.092 11.831 -4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.593 12.530 -4.324 1.00 0.00 H new ATOM 152 N TYR A 19 -5.881 11.143 0.211 1.00 0.00 N ATOM 153 CA TYR A 19 -4.614 10.554 0.731 1.00 0.00 C ATOM 154 C TYR A 19 -4.815 9.073 1.075 1.00 0.00 C ATOM 155 O TYR A 19 -5.899 8.535 0.966 1.00 0.00 O ATOM 156 CB TYR A 19 -4.147 11.356 1.957 1.00 0.00 C ATOM 157 CG TYR A 19 -3.059 10.621 2.709 1.00 0.00 C ATOM 158 CD1 TYR A 19 -1.750 10.579 2.202 1.00 0.00 C ATOM 159 CD2 TYR A 19 -3.359 9.983 3.921 1.00 0.00 C ATOM 160 CE1 TYR A 19 -0.751 9.900 2.907 1.00 0.00 C ATOM 161 CE2 TYR A 19 -2.356 9.304 4.626 1.00 0.00 C ATOM 162 CZ TYR A 19 -1.052 9.264 4.118 1.00 0.00 C ATOM 163 OH TYR A 19 -0.065 8.594 4.810 1.00 0.00 O ATOM 0 H TYR A 19 -6.558 11.441 0.913 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.842 10.610 -0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.778 12.331 1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.993 11.537 2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.515 11.070 1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.365 10.015 4.312 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.255 9.866 2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.588 8.813 5.559 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.472 8.052 5.518 1.00 0.00 H new ATOM 173 N ASP A 20 -3.767 8.421 1.487 1.00 0.00 N ATOM 174 CA ASP A 20 -3.857 6.982 1.844 1.00 0.00 C ATOM 175 C ASP A 20 -3.707 6.817 3.357 1.00 0.00 C ATOM 176 O ASP A 20 -2.655 6.447 3.837 1.00 0.00 O ATOM 177 CB ASP A 20 -2.720 6.230 1.151 1.00 0.00 C ATOM 178 CG ASP A 20 -3.214 4.851 0.712 1.00 0.00 C ATOM 179 OD1 ASP A 20 -4.078 4.311 1.384 1.00 0.00 O ATOM 180 OD2 ASP A 20 -2.721 4.357 -0.289 1.00 0.00 O ATOM 0 H ASP A 20 -2.839 8.831 1.593 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.822 6.587 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.370 6.795 0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.873 6.126 1.829 1.00 0.00 H new ATOM 185 N GLY A 21 -4.741 7.065 4.121 1.00 0.00 N ATOM 186 CA GLY A 21 -4.619 6.888 5.597 1.00 0.00 C ATOM 187 C GLY A 21 -4.105 5.472 5.875 1.00 0.00 C ATOM 188 O GLY A 21 -4.873 4.553 6.082 1.00 0.00 O ATOM 0 H GLY A 21 -5.653 7.379 3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.935 7.628 6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.585 7.042 6.078 1.00 0.00 H new ATOM 192 N ILE A 22 -2.812 5.282 5.870 1.00 0.00 N ATOM 193 CA ILE A 22 -2.268 3.917 6.124 1.00 0.00 C ATOM 194 C ILE A 22 -1.667 3.857 7.527 1.00 0.00 C ATOM 195 O ILE A 22 -1.186 2.832 7.966 1.00 0.00 O ATOM 196 CB ILE A 22 -1.192 3.589 5.089 1.00 0.00 C ATOM 197 CG1 ILE A 22 -1.810 3.588 3.690 1.00 0.00 C ATOM 198 CG2 ILE A 22 -0.603 2.209 5.389 1.00 0.00 C ATOM 199 CD1 ILE A 22 -0.723 3.872 2.652 1.00 0.00 C ATOM 0 H ILE A 22 -2.114 6.007 5.702 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.075 3.188 6.046 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.403 4.340 5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.278 2.624 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.594 4.342 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.165 1.973 4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.161 2.211 6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.392 1.459 5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.163 3.871 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.276 4.846 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.046 3.101 2.710 1.00 0.00 H new ATOM 211 N HIS A 23 -1.709 4.944 8.241 1.00 0.00 N ATOM 212 CA HIS A 23 -1.160 4.948 9.622 1.00 0.00 C ATOM 213 C HIS A 23 -2.284 5.321 10.586 1.00 0.00 C ATOM 214 O HIS A 23 -3.277 5.901 10.194 1.00 0.00 O ATOM 215 CB HIS A 23 -0.018 5.960 9.721 1.00 0.00 C ATOM 216 CG HIS A 23 1.175 5.429 8.973 1.00 0.00 C ATOM 217 ND1 HIS A 23 1.460 5.358 7.632 1.00 0.00 N flip ATOM 218 CD2 HIS A 23 2.263 4.863 9.622 1.00 0.00 C flip ATOM 219 CE1 HIS A 23 2.703 4.760 7.448 1.00 0.00 C flip ATOM 220 NE2 HIS A 23 3.143 4.481 8.677 1.00 0.00 N flip ATOM 0 H HIS A 23 -2.101 5.832 7.927 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.769 3.963 9.876 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.327 6.918 9.304 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.240 6.135 10.765 1.00 0.00 H new ATOM 0 HD1 HIS A 23 0.853 5.693 6.884 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.382 4.750 10.689 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.204 4.564 6.512 1.00 0.00 H new ATOM 228 N PRO A 24 -2.140 4.961 11.867 1.00 0.00 N ATOM 229 CA PRO A 24 -3.165 5.242 12.877 1.00 0.00 C ATOM 230 C PRO A 24 -3.291 6.742 13.159 1.00 0.00 C ATOM 231 O PRO A 24 -4.270 7.203 13.710 1.00 0.00 O ATOM 232 CB PRO A 24 -2.652 4.512 14.118 1.00 0.00 C ATOM 233 CG PRO A 24 -1.178 4.420 13.915 1.00 0.00 C ATOM 234 CD PRO A 24 -0.974 4.263 12.435 1.00 0.00 C ATOM 0 HA PRO A 24 -4.156 4.919 12.557 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.894 5.060 15.029 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.102 3.524 14.211 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.676 5.314 14.286 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.761 3.572 14.459 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.036 4.710 12.107 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.948 3.214 12.140 1.00 0.00 H new ATOM 242 N ASP A 25 -2.291 7.500 12.798 1.00 0.00 N ATOM 243 CA ASP A 25 -2.326 8.966 13.053 1.00 0.00 C ATOM 244 C ASP A 25 -2.433 9.736 11.734 1.00 0.00 C ATOM 245 O ASP A 25 -2.709 10.919 11.723 1.00 0.00 O ATOM 246 CB ASP A 25 -1.032 9.376 13.762 1.00 0.00 C ATOM 247 CG ASP A 25 -1.309 9.576 15.253 1.00 0.00 C ATOM 248 OD1 ASP A 25 -2.361 9.152 15.702 1.00 0.00 O ATOM 249 OD2 ASP A 25 -0.463 10.149 15.920 1.00 0.00 O ATOM 0 H ASP A 25 -1.447 7.163 12.335 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.193 9.199 13.672 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.270 8.610 13.622 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.642 10.296 13.327 1.00 0.00 H new ATOM 254 N ASP A 26 -2.208 9.090 10.620 1.00 0.00 N ATOM 255 CA ASP A 26 -2.292 9.813 9.325 1.00 0.00 C ATOM 256 C ASP A 26 -3.679 10.433 9.176 1.00 0.00 C ATOM 257 O ASP A 26 -4.684 9.831 9.497 1.00 0.00 O ATOM 258 CB ASP A 26 -2.035 8.840 8.173 1.00 0.00 C ATOM 259 CG ASP A 26 -0.565 8.920 7.754 1.00 0.00 C ATOM 260 OD1 ASP A 26 0.031 9.966 7.951 1.00 0.00 O ATOM 261 OD2 ASP A 26 -0.061 7.934 7.241 1.00 0.00 O ATOM 0 H ASP A 26 -1.972 8.100 10.554 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.540 10.601 9.302 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.282 7.824 8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.679 9.083 7.328 1.00 0.00 H new ATOM 266 N LEU A 27 -3.734 11.633 8.675 1.00 0.00 N ATOM 267 CA LEU A 27 -5.047 12.301 8.483 1.00 0.00 C ATOM 268 C LEU A 27 -5.479 12.090 7.032 1.00 0.00 C ATOM 269 O LEU A 27 -4.787 12.464 6.106 1.00 0.00 O ATOM 270 CB LEU A 27 -4.912 13.798 8.808 1.00 0.00 C ATOM 271 CG LEU A 27 -6.005 14.611 8.104 1.00 0.00 C ATOM 272 CD1 LEU A 27 -5.655 14.780 6.623 1.00 0.00 C ATOM 273 CD2 LEU A 27 -7.351 13.894 8.238 1.00 0.00 C ATOM 0 H LEU A 27 -2.923 12.181 8.389 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.800 11.879 9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.979 13.948 9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.930 14.155 8.497 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.074 15.594 8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.435 15.358 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.703 15.303 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.577 13.799 6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.125 14.475 7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.285 12.907 7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.604 13.788 9.293 1.00 0.00 H new ATOM 285 N SER A 28 -6.615 11.489 6.829 1.00 0.00 N ATOM 286 CA SER A 28 -7.100 11.246 5.445 1.00 0.00 C ATOM 287 C SER A 28 -7.734 12.521 4.887 1.00 0.00 C ATOM 288 O SER A 28 -8.442 13.227 5.576 1.00 0.00 O ATOM 289 CB SER A 28 -8.158 10.141 5.476 1.00 0.00 C ATOM 290 OG SER A 28 -7.558 8.901 5.132 1.00 0.00 O ATOM 0 H SER A 28 -7.233 11.153 7.568 1.00 0.00 H new ATOM 0 HA SER A 28 -6.262 10.950 4.814 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.605 10.078 6.468 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.963 10.374 4.779 1.00 0.00 H new ATOM 0 HG SER A 28 -8.235 8.193 5.153 1.00 0.00 H new ATOM 296 N PHE A 29 -7.513 12.803 3.636 1.00 0.00 N ATOM 297 CA PHE A 29 -8.135 14.012 3.029 1.00 0.00 C ATOM 298 C PHE A 29 -8.470 13.707 1.574 1.00 0.00 C ATOM 299 O PHE A 29 -7.904 12.814 0.979 1.00 0.00 O ATOM 300 CB PHE A 29 -7.186 15.214 3.114 1.00 0.00 C ATOM 301 CG PHE A 29 -5.849 14.904 2.488 1.00 0.00 C ATOM 302 CD1 PHE A 29 -5.695 14.961 1.098 1.00 0.00 C ATOM 303 CD2 PHE A 29 -4.755 14.588 3.301 1.00 0.00 C ATOM 304 CE1 PHE A 29 -4.447 14.702 0.521 1.00 0.00 C ATOM 305 CE2 PHE A 29 -3.508 14.325 2.725 1.00 0.00 C ATOM 306 CZ PHE A 29 -3.352 14.384 1.335 1.00 0.00 C ATOM 0 H PHE A 29 -6.930 12.251 3.007 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.043 14.266 3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.635 16.071 2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.045 15.495 4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.540 15.205 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.874 14.547 4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.328 14.747 -0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.665 14.076 3.353 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.388 14.185 0.890 1.00 0.00 H new ATOM 316 N LYS A 30 -9.392 14.423 0.993 1.00 0.00 N ATOM 317 CA LYS A 30 -9.754 14.144 -0.423 1.00 0.00 C ATOM 318 C LYS A 30 -9.279 15.295 -1.310 1.00 0.00 C ATOM 319 O LYS A 30 -8.809 16.307 -0.829 1.00 0.00 O ATOM 320 CB LYS A 30 -11.272 14.001 -0.542 1.00 0.00 C ATOM 321 CG LYS A 30 -11.658 12.525 -0.423 1.00 0.00 C ATOM 322 CD LYS A 30 -12.800 12.376 0.584 1.00 0.00 C ATOM 323 CE LYS A 30 -13.065 10.890 0.835 1.00 0.00 C ATOM 324 NZ LYS A 30 -13.637 10.274 -0.395 1.00 0.00 N ATOM 0 H LYS A 30 -9.907 15.184 1.435 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.275 13.219 -0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.765 14.580 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.612 14.400 -1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.964 12.138 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.797 11.938 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.543 12.874 1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.700 12.858 0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.139 10.386 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.755 10.768 1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.989 9.321 -0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.421 10.861 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.900 10.210 -1.126 1.00 0.00 H new ATOM 338 N LYS A 31 -9.399 15.153 -2.602 1.00 0.00 N ATOM 339 CA LYS A 31 -8.953 16.246 -3.508 1.00 0.00 C ATOM 340 C LYS A 31 -9.857 17.462 -3.316 1.00 0.00 C ATOM 341 O LYS A 31 -11.013 17.342 -2.960 1.00 0.00 O ATOM 342 CB LYS A 31 -9.032 15.789 -4.963 1.00 0.00 C ATOM 343 CG LYS A 31 -10.478 15.422 -5.303 1.00 0.00 C ATOM 344 CD LYS A 31 -11.185 16.639 -5.902 1.00 0.00 C ATOM 345 CE LYS A 31 -12.611 16.722 -5.354 1.00 0.00 C ATOM 346 NZ LYS A 31 -12.935 18.140 -5.029 1.00 0.00 N ATOM 0 H LYS A 31 -9.785 14.331 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.922 16.506 -3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.681 16.582 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.380 14.930 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.497 14.592 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.001 15.089 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.636 17.549 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.206 16.562 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.318 16.335 -6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.706 16.102 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.955 18.300 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.668 18.340 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.407 18.771 -5.665 1.00 0.00 H new ATOM 360 N GLY A 32 -9.339 18.634 -3.553 1.00 0.00 N ATOM 361 CA GLY A 32 -10.165 19.865 -3.391 1.00 0.00 C ATOM 362 C GLY A 32 -10.445 20.125 -1.906 1.00 0.00 C ATOM 363 O GLY A 32 -10.982 21.152 -1.543 1.00 0.00 O ATOM 0 H GLY A 32 -8.377 18.794 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.646 20.719 -3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.105 19.754 -3.932 1.00 0.00 H new ATOM 367 N GLU A 33 -10.096 19.208 -1.044 1.00 0.00 N ATOM 368 CA GLU A 33 -10.355 19.421 0.408 1.00 0.00 C ATOM 369 C GLU A 33 -9.346 20.425 0.966 1.00 0.00 C ATOM 370 O GLU A 33 -8.197 20.445 0.577 1.00 0.00 O ATOM 371 CB GLU A 33 -10.216 18.091 1.151 1.00 0.00 C ATOM 372 CG GLU A 33 -11.406 17.913 2.098 1.00 0.00 C ATOM 373 CD GLU A 33 -11.328 16.536 2.760 1.00 0.00 C ATOM 374 OE1 GLU A 33 -10.558 16.393 3.695 1.00 0.00 O ATOM 375 OE2 GLU A 33 -12.040 15.648 2.321 1.00 0.00 O ATOM 0 H GLU A 33 -9.645 18.325 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.365 19.809 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.176 17.266 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.283 18.072 1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.400 18.695 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.341 18.011 1.547 1.00 0.00 H new ATOM 382 N LYS A 34 -9.768 21.264 1.872 1.00 0.00 N ATOM 383 CA LYS A 34 -8.829 22.267 2.448 1.00 0.00 C ATOM 384 C LYS A 34 -8.275 21.754 3.778 1.00 0.00 C ATOM 385 O LYS A 34 -8.977 21.177 4.584 1.00 0.00 O ATOM 386 CB LYS A 34 -9.560 23.591 2.671 1.00 0.00 C ATOM 387 CG LYS A 34 -9.273 24.535 1.502 1.00 0.00 C ATOM 388 CD LYS A 34 -10.437 25.513 1.340 1.00 0.00 C ATOM 389 CE LYS A 34 -10.559 26.372 2.600 1.00 0.00 C ATOM 390 NZ LYS A 34 -9.819 27.651 2.403 1.00 0.00 N ATOM 0 H LYS A 34 -10.720 21.298 2.237 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.004 22.425 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.633 23.417 2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.235 24.045 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.347 25.081 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.134 23.963 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.275 26.147 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.364 24.966 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.608 26.576 2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.157 25.835 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.902 28.235 3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.816 27.447 2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.222 28.164 1.593 1.00 0.00 H new ATOM 404 N MET A 35 -7.007 21.962 3.999 1.00 0.00 N ATOM 405 CA MET A 35 -6.359 21.499 5.257 1.00 0.00 C ATOM 406 C MET A 35 -5.424 22.591 5.775 1.00 0.00 C ATOM 407 O MET A 35 -4.920 23.398 5.022 1.00 0.00 O ATOM 408 CB MET A 35 -5.536 20.245 4.968 1.00 0.00 C ATOM 409 CG MET A 35 -6.467 19.034 4.879 1.00 0.00 C ATOM 410 SD MET A 35 -6.902 18.732 3.149 1.00 0.00 S ATOM 411 CE MET A 35 -5.216 18.536 2.522 1.00 0.00 C ATOM 0 H MET A 35 -6.383 22.441 3.350 1.00 0.00 H new ATOM 0 HA MET A 35 -7.125 21.280 6.001 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.987 20.365 4.034 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.797 20.092 5.755 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.979 18.155 5.301 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.368 19.211 5.466 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.990 19.344 1.826 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.513 18.567 3.354 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.128 17.579 2.008 1.00 0.00 H new ATOM 421 N LYS A 36 -5.191 22.619 7.056 1.00 0.00 N ATOM 422 CA LYS A 36 -4.287 23.658 7.625 1.00 0.00 C ATOM 423 C LYS A 36 -2.958 23.011 8.018 1.00 0.00 C ATOM 424 O LYS A 36 -2.928 22.018 8.717 1.00 0.00 O ATOM 425 CB LYS A 36 -4.938 24.281 8.863 1.00 0.00 C ATOM 426 CG LYS A 36 -6.409 24.587 8.569 1.00 0.00 C ATOM 427 CD LYS A 36 -7.245 24.324 9.824 1.00 0.00 C ATOM 428 CE LYS A 36 -7.621 25.657 10.475 1.00 0.00 C ATOM 429 NZ LYS A 36 -6.404 26.508 10.605 1.00 0.00 N ATOM 0 H LYS A 36 -5.587 21.968 7.734 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.110 24.435 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.860 23.599 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.414 25.196 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.520 25.625 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.763 23.966 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.145 23.767 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.682 23.710 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.373 26.168 9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.062 25.483 11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.529 27.174 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.577 25.905 10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.256 27.039 9.723 1.00 0.00 H new ATOM 443 N VAL A 37 -1.855 23.566 7.587 1.00 0.00 N ATOM 444 CA VAL A 37 -0.539 22.971 7.956 1.00 0.00 C ATOM 445 C VAL A 37 -0.162 23.429 9.366 1.00 0.00 C ATOM 446 O VAL A 37 -0.120 24.608 9.655 1.00 0.00 O ATOM 447 CB VAL A 37 0.534 23.428 6.965 1.00 0.00 C ATOM 448 CG1 VAL A 37 1.783 22.561 7.134 1.00 0.00 C ATOM 449 CG2 VAL A 37 0.005 23.283 5.536 1.00 0.00 C ATOM 0 H VAL A 37 -1.809 24.399 7.000 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.610 21.884 7.927 1.00 0.00 H new ATOM 0 HB VAL A 37 0.784 24.472 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.549 22.885 6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.161 22.661 8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.531 21.518 6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.769 23.609 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.245 22.239 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.887 23.898 5.414 1.00 0.00 H new ATOM 459 N LEU A 38 0.103 22.507 10.250 1.00 0.00 N ATOM 460 CA LEU A 38 0.466 22.894 11.641 1.00 0.00 C ATOM 461 C LEU A 38 1.980 22.790 11.833 1.00 0.00 C ATOM 462 O LEU A 38 2.597 23.648 12.433 1.00 0.00 O ATOM 463 CB LEU A 38 -0.235 21.959 12.629 1.00 0.00 C ATOM 464 CG LEU A 38 -1.633 21.621 12.105 1.00 0.00 C ATOM 465 CD1 LEU A 38 -2.319 20.653 13.072 1.00 0.00 C ATOM 466 CD2 LEU A 38 -2.460 22.903 11.997 1.00 0.00 C ATOM 0 H LEU A 38 0.084 21.503 10.069 1.00 0.00 H new ATOM 0 HA LEU A 38 0.151 23.922 11.820 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.347 21.047 12.759 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.306 22.434 13.608 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.551 21.157 11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.315 20.412 12.700 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.730 19.739 13.151 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.402 21.118 14.054 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.456 22.663 11.624 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.543 23.367 12.980 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.972 23.594 11.310 1.00 0.00 H new ATOM 478 N GLU A 39 2.585 21.745 11.339 1.00 0.00 N ATOM 479 CA GLU A 39 4.057 21.582 11.504 1.00 0.00 C ATOM 480 C GLU A 39 4.633 20.900 10.261 1.00 0.00 C ATOM 481 O GLU A 39 4.599 19.693 10.127 1.00 0.00 O ATOM 482 CB GLU A 39 4.330 20.709 12.732 1.00 0.00 C ATOM 483 CG GLU A 39 3.751 19.311 12.504 1.00 0.00 C ATOM 484 CD GLU A 39 2.878 18.919 13.697 1.00 0.00 C ATOM 485 OE1 GLU A 39 1.945 19.648 13.989 1.00 0.00 O ATOM 486 OE2 GLU A 39 3.155 17.893 14.297 1.00 0.00 O ATOM 0 H GLU A 39 2.122 20.995 10.827 1.00 0.00 H new ATOM 0 HA GLU A 39 4.524 22.558 11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.403 20.645 12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.883 21.159 13.618 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.161 19.295 11.588 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.557 18.588 12.377 1.00 0.00 H new ATOM 493 N GLU A 40 5.167 21.667 9.349 1.00 0.00 N ATOM 494 CA GLU A 40 5.750 21.067 8.116 1.00 0.00 C ATOM 495 C GLU A 40 7.160 20.558 8.420 1.00 0.00 C ATOM 496 O GLU A 40 8.048 21.318 8.752 1.00 0.00 O ATOM 497 CB GLU A 40 5.813 22.128 7.014 1.00 0.00 C ATOM 498 CG GLU A 40 6.548 21.563 5.797 1.00 0.00 C ATOM 499 CD GLU A 40 7.384 22.669 5.149 1.00 0.00 C ATOM 500 OE1 GLU A 40 8.417 23.005 5.704 1.00 0.00 O ATOM 501 OE2 GLU A 40 6.975 23.160 4.110 1.00 0.00 O ATOM 0 H GLU A 40 5.224 22.684 9.405 1.00 0.00 H new ATOM 0 HA GLU A 40 5.128 20.237 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.806 22.435 6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.326 23.017 7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.190 20.736 6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.832 21.165 5.078 1.00 0.00 H new ATOM 508 N HIS A 41 7.371 19.275 8.313 1.00 0.00 N ATOM 509 CA HIS A 41 8.721 18.717 8.599 1.00 0.00 C ATOM 510 C HIS A 41 9.592 18.816 7.343 1.00 0.00 C ATOM 511 O HIS A 41 10.050 19.880 6.980 1.00 0.00 O ATOM 512 CB HIS A 41 8.586 17.254 9.021 1.00 0.00 C ATOM 513 CG HIS A 41 8.047 17.185 10.423 1.00 0.00 C ATOM 514 ND1 HIS A 41 8.785 16.663 11.474 1.00 0.00 N ATOM 515 CD2 HIS A 41 6.844 17.569 10.965 1.00 0.00 C ATOM 516 CE1 HIS A 41 8.027 16.746 12.583 1.00 0.00 C ATOM 517 NE2 HIS A 41 6.834 17.290 12.327 1.00 0.00 N ATOM 0 H HIS A 41 6.667 18.590 8.040 1.00 0.00 H new ATOM 0 HA HIS A 41 9.188 19.284 9.405 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.920 16.727 8.338 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.555 16.758 8.968 1.00 0.00 H new ATOM 0 HD1 HIS A 41 9.731 16.285 11.417 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.030 18.019 10.416 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.344 16.414 13.560 1.00 0.00 H new ATOM 525 N GLY A 42 9.831 17.717 6.676 1.00 0.00 N ATOM 526 CA GLY A 42 10.678 17.763 5.451 1.00 0.00 C ATOM 527 C GLY A 42 9.975 17.039 4.298 1.00 0.00 C ATOM 528 O GLY A 42 10.334 17.199 3.148 1.00 0.00 O ATOM 0 H GLY A 42 9.477 16.794 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.875 18.799 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.643 17.297 5.649 1.00 0.00 H new ATOM 532 N GLU A 43 8.984 16.240 4.589 1.00 0.00 N ATOM 533 CA GLU A 43 8.278 15.512 3.495 1.00 0.00 C ATOM 534 C GLU A 43 6.840 15.182 3.914 1.00 0.00 C ATOM 535 O GLU A 43 6.001 14.888 3.087 1.00 0.00 O ATOM 536 CB GLU A 43 9.026 14.215 3.185 1.00 0.00 C ATOM 537 CG GLU A 43 10.101 14.485 2.129 1.00 0.00 C ATOM 538 CD GLU A 43 9.452 15.100 0.887 1.00 0.00 C ATOM 539 OE1 GLU A 43 8.879 14.354 0.111 1.00 0.00 O ATOM 540 OE2 GLU A 43 9.541 16.308 0.734 1.00 0.00 O ATOM 0 H GLU A 43 8.634 16.060 5.530 1.00 0.00 H new ATOM 0 HA GLU A 43 8.251 16.146 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.484 13.821 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.329 13.458 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.858 15.160 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.609 13.557 1.866 1.00 0.00 H new ATOM 547 N TRP A 44 6.544 15.226 5.185 1.00 0.00 N ATOM 548 CA TRP A 44 5.158 14.910 5.633 1.00 0.00 C ATOM 549 C TRP A 44 4.714 15.942 6.678 1.00 0.00 C ATOM 550 O TRP A 44 5.108 15.879 7.826 1.00 0.00 O ATOM 551 CB TRP A 44 5.128 13.515 6.259 1.00 0.00 C ATOM 552 CG TRP A 44 5.203 12.470 5.191 1.00 0.00 C ATOM 553 CD1 TRP A 44 6.340 12.056 4.586 1.00 0.00 C ATOM 554 CD2 TRP A 44 4.120 11.698 4.600 1.00 0.00 C ATOM 555 NE1 TRP A 44 6.024 11.072 3.663 1.00 0.00 N ATOM 556 CE2 TRP A 44 4.665 10.817 3.635 1.00 0.00 C ATOM 557 CE3 TRP A 44 2.730 11.677 4.808 1.00 0.00 C ATOM 558 CZ2 TRP A 44 3.858 9.946 2.904 1.00 0.00 C ATOM 559 CZ3 TRP A 44 1.916 10.801 4.073 1.00 0.00 C ATOM 560 CH2 TRP A 44 2.481 9.938 3.123 1.00 0.00 C ATOM 0 H TRP A 44 7.199 15.466 5.929 1.00 0.00 H new ATOM 0 HA TRP A 44 4.485 14.940 4.776 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.963 13.400 6.950 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.214 13.388 6.839 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.332 12.431 4.789 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.709 10.595 3.077 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.286 12.338 5.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.296 9.282 2.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.849 10.792 4.240 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.849 9.267 2.561 1.00 0.00 H new ATOM 571 N TRP A 45 3.902 16.889 6.295 1.00 0.00 N ATOM 572 CA TRP A 45 3.446 17.918 7.278 1.00 0.00 C ATOM 573 C TRP A 45 2.152 17.461 7.953 1.00 0.00 C ATOM 574 O TRP A 45 1.287 16.875 7.333 1.00 0.00 O ATOM 575 CB TRP A 45 3.180 19.247 6.565 1.00 0.00 C ATOM 576 CG TRP A 45 3.995 19.336 5.316 1.00 0.00 C ATOM 577 CD1 TRP A 45 5.280 18.932 5.190 1.00 0.00 C ATOM 578 CD2 TRP A 45 3.600 19.859 4.017 1.00 0.00 C ATOM 579 NE1 TRP A 45 5.699 19.177 3.893 1.00 0.00 N ATOM 580 CE2 TRP A 45 4.696 19.748 3.132 1.00 0.00 C ATOM 581 CE3 TRP A 45 2.404 20.415 3.527 1.00 0.00 C ATOM 582 CZ2 TRP A 45 4.611 20.173 1.805 1.00 0.00 C ATOM 583 CZ3 TRP A 45 2.314 20.844 2.194 1.00 0.00 C ATOM 584 CH2 TRP A 45 3.415 20.723 1.334 1.00 0.00 C ATOM 0 H TRP A 45 3.535 16.996 5.349 1.00 0.00 H new ATOM 0 HA TRP A 45 4.229 18.049 8.025 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.121 19.332 6.323 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.424 20.078 7.227 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.880 18.491 5.972 1.00 0.00 H new ATOM 0 HE1 TRP A 45 6.633 18.963 3.542 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.550 20.512 4.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.462 20.078 1.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.391 21.270 1.828 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.339 21.054 0.309 1.00 0.00 H new ATOM 595 N LYS A 46 2.007 17.744 9.220 1.00 0.00 N ATOM 596 CA LYS A 46 0.765 17.349 9.937 1.00 0.00 C ATOM 597 C LYS A 46 -0.230 18.505 9.858 1.00 0.00 C ATOM 598 O LYS A 46 -0.073 19.518 10.512 1.00 0.00 O ATOM 599 CB LYS A 46 1.089 17.049 11.401 1.00 0.00 C ATOM 600 CG LYS A 46 0.330 15.799 11.847 1.00 0.00 C ATOM 601 CD LYS A 46 0.032 15.890 13.345 1.00 0.00 C ATOM 602 CE LYS A 46 -0.542 14.559 13.833 1.00 0.00 C ATOM 603 NZ LYS A 46 0.523 13.786 14.532 1.00 0.00 N ATOM 0 H LYS A 46 2.698 18.233 9.789 1.00 0.00 H new ATOM 0 HA LYS A 46 0.338 16.457 9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.162 16.899 11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.812 17.898 12.027 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.600 15.705 11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.921 14.907 11.636 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.943 16.128 13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.676 16.696 13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.379 14.737 14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.928 13.986 12.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.129 12.888 14.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.301 13.590 13.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.883 14.340 15.335 1.00 0.00 H new ATOM 617 N ALA A 47 -1.241 18.375 9.049 1.00 0.00 N ATOM 618 CA ALA A 47 -2.233 19.476 8.909 1.00 0.00 C ATOM 619 C ALA A 47 -3.514 19.130 9.664 1.00 0.00 C ATOM 620 O ALA A 47 -3.604 18.123 10.337 1.00 0.00 O ATOM 621 CB ALA A 47 -2.557 19.684 7.428 1.00 0.00 C ATOM 0 H ALA A 47 -1.425 17.551 8.476 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.810 20.390 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.283 20.490 7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.646 19.945 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.973 18.765 7.014 1.00 0.00 H new ATOM 627 N LYS A 48 -4.503 19.973 9.557 1.00 0.00 N ATOM 628 CA LYS A 48 -5.784 19.719 10.267 1.00 0.00 C ATOM 629 C LYS A 48 -6.936 19.739 9.259 1.00 0.00 C ATOM 630 O LYS A 48 -7.068 20.657 8.475 1.00 0.00 O ATOM 631 CB LYS A 48 -6.007 20.817 11.308 1.00 0.00 C ATOM 632 CG LYS A 48 -6.099 20.189 12.700 1.00 0.00 C ATOM 633 CD LYS A 48 -7.139 20.943 13.531 1.00 0.00 C ATOM 634 CE LYS A 48 -6.594 22.325 13.895 1.00 0.00 C ATOM 635 NZ LYS A 48 -7.381 22.887 15.030 1.00 0.00 N ATOM 0 H LYS A 48 -4.477 20.831 9.005 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.745 18.747 10.758 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.188 21.536 11.275 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.922 21.365 11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.375 19.138 12.619 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.127 20.226 13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.067 21.043 12.968 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.373 20.382 14.436 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.542 22.252 14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.653 22.990 13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.011 23.827 15.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.380 22.971 14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.302 22.256 15.853 1.00 0.00 H new ATOM 649 N SER A 49 -7.771 18.739 9.271 1.00 0.00 N ATOM 650 CA SER A 49 -8.908 18.708 8.311 1.00 0.00 C ATOM 651 C SER A 49 -9.985 19.699 8.747 1.00 0.00 C ATOM 652 O SER A 49 -10.476 19.648 9.858 1.00 0.00 O ATOM 653 CB SER A 49 -9.518 17.309 8.287 1.00 0.00 C ATOM 654 OG SER A 49 -10.054 17.049 6.998 1.00 0.00 O ATOM 0 H SER A 49 -7.715 17.941 9.904 1.00 0.00 H new ATOM 0 HA SER A 49 -8.539 18.975 7.321 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.760 16.566 8.534 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.301 17.229 9.041 1.00 0.00 H new ATOM 0 HG SER A 49 -10.444 16.150 6.981 1.00 0.00 H new ATOM 660 N LEU A 50 -10.375 20.586 7.876 1.00 0.00 N ATOM 661 CA LEU A 50 -11.441 21.555 8.239 1.00 0.00 C ATOM 662 C LEU A 50 -12.770 20.801 8.316 1.00 0.00 C ATOM 663 O LEU A 50 -13.779 21.333 8.732 1.00 0.00 O ATOM 664 CB LEU A 50 -11.529 22.648 7.172 1.00 0.00 C ATOM 665 CG LEU A 50 -11.201 24.003 7.804 1.00 0.00 C ATOM 666 CD1 LEU A 50 -10.136 24.712 6.966 1.00 0.00 C ATOM 667 CD2 LEU A 50 -12.467 24.861 7.852 1.00 0.00 C ATOM 0 H LEU A 50 -10.002 20.681 6.931 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.216 22.019 9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.834 22.435 6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.529 22.669 6.739 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.825 23.852 8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.902 25.677 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.235 24.100 6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.511 24.865 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.235 25.826 8.302 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.842 25.013 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.227 24.356 8.448 1.00 0.00 H new ATOM 679 N LEU A 51 -12.766 19.555 7.919 1.00 0.00 N ATOM 680 CA LEU A 51 -14.016 18.747 7.966 1.00 0.00 C ATOM 681 C LEU A 51 -14.596 18.801 9.376 1.00 0.00 C ATOM 682 O LEU A 51 -15.737 19.167 9.577 1.00 0.00 O ATOM 683 CB LEU A 51 -13.698 17.296 7.600 1.00 0.00 C ATOM 684 CG LEU A 51 -14.984 16.581 7.180 1.00 0.00 C ATOM 685 CD1 LEU A 51 -15.571 17.270 5.947 1.00 0.00 C ATOM 686 CD2 LEU A 51 -14.670 15.121 6.846 1.00 0.00 C ATOM 0 H LEU A 51 -11.947 19.063 7.563 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.740 19.149 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.971 17.266 6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.247 16.786 8.451 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.705 16.621 7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -16.487 16.761 5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.795 18.310 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.850 17.230 5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.586 14.611 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.949 15.081 6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.251 14.629 7.724 1.00 0.00 H new ATOM 698 N THR A 52 -13.816 18.446 10.359 1.00 0.00 N ATOM 699 CA THR A 52 -14.329 18.487 11.755 1.00 0.00 C ATOM 700 C THR A 52 -13.159 18.487 12.743 1.00 0.00 C ATOM 701 O THR A 52 -13.282 18.017 13.856 1.00 0.00 O ATOM 702 CB THR A 52 -15.225 17.274 12.012 1.00 0.00 C ATOM 703 OG1 THR A 52 -15.412 17.112 13.411 1.00 0.00 O ATOM 704 CG2 THR A 52 -14.562 16.021 11.433 1.00 0.00 C ATOM 0 H THR A 52 -12.851 18.131 10.256 1.00 0.00 H new ATOM 0 HA THR A 52 -14.910 19.399 11.894 1.00 0.00 H new ATOM 0 HB THR A 52 -16.193 17.426 11.534 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.568 16.835 13.824 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.199 15.155 11.615 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.420 16.148 10.360 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.595 15.867 11.912 1.00 0.00 H new ATOM 712 N LYS A 53 -12.034 19.029 12.351 1.00 0.00 N ATOM 713 CA LYS A 53 -10.860 19.087 13.275 1.00 0.00 C ATOM 714 C LYS A 53 -10.046 17.798 13.184 1.00 0.00 C ATOM 715 O LYS A 53 -9.620 17.251 14.181 1.00 0.00 O ATOM 716 CB LYS A 53 -11.341 19.280 14.718 1.00 0.00 C ATOM 717 CG LYS A 53 -12.473 20.309 14.745 1.00 0.00 C ATOM 718 CD LYS A 53 -12.215 21.320 15.864 1.00 0.00 C ATOM 719 CE LYS A 53 -12.616 22.717 15.391 1.00 0.00 C ATOM 720 NZ LYS A 53 -14.076 22.741 15.094 1.00 0.00 N ATOM 0 H LYS A 53 -11.877 19.435 11.429 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.231 19.928 12.982 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.688 18.331 15.127 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.516 19.615 15.346 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.537 20.821 13.785 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.429 19.810 14.904 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.784 21.048 16.753 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.162 21.308 16.144 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.378 23.454 16.158 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.048 22.988 14.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.389 23.725 14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.262 22.206 14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.598 22.308 15.883 1.00 0.00 H new ATOM 734 N LYS A 54 -9.796 17.326 11.997 1.00 0.00 N ATOM 735 CA LYS A 54 -8.976 16.094 11.851 1.00 0.00 C ATOM 736 C LYS A 54 -7.503 16.498 11.838 1.00 0.00 C ATOM 737 O LYS A 54 -7.114 17.409 11.141 1.00 0.00 O ATOM 738 CB LYS A 54 -9.333 15.388 10.543 1.00 0.00 C ATOM 739 CG LYS A 54 -9.718 13.937 10.837 1.00 0.00 C ATOM 740 CD LYS A 54 -10.776 13.905 11.942 1.00 0.00 C ATOM 741 CE LYS A 54 -10.216 13.173 13.163 1.00 0.00 C ATOM 742 NZ LYS A 54 -9.894 11.766 12.794 1.00 0.00 N ATOM 0 H LYS A 54 -10.123 17.739 11.123 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.170 15.412 12.679 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.159 15.903 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.486 15.419 9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.104 13.462 9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.839 13.371 11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.064 14.920 12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.675 13.403 11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.321 13.679 13.525 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.943 13.190 13.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.073 11.144 13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.491 11.471 11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.893 11.699 12.521 1.00 0.00 H new ATOM 756 N GLU A 55 -6.678 15.837 12.597 1.00 0.00 N ATOM 757 CA GLU A 55 -5.235 16.206 12.611 1.00 0.00 C ATOM 758 C GLU A 55 -4.404 14.985 12.232 1.00 0.00 C ATOM 759 O GLU A 55 -4.450 13.965 12.891 1.00 0.00 O ATOM 760 CB GLU A 55 -4.844 16.674 14.015 1.00 0.00 C ATOM 761 CG GLU A 55 -4.941 15.500 14.991 1.00 0.00 C ATOM 762 CD GLU A 55 -4.980 16.031 16.426 1.00 0.00 C ATOM 763 OE1 GLU A 55 -5.214 17.216 16.592 1.00 0.00 O ATOM 764 OE2 GLU A 55 -4.774 15.242 17.333 1.00 0.00 O ATOM 0 H GLU A 55 -6.937 15.061 13.206 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.053 17.010 11.898 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.829 17.071 14.008 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.501 17.483 14.336 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.837 14.914 14.784 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.088 14.834 14.861 1.00 0.00 H new ATOM 771 N GLY A 56 -3.643 15.071 11.178 1.00 0.00 N ATOM 772 CA GLY A 56 -2.821 13.896 10.781 1.00 0.00 C ATOM 773 C GLY A 56 -1.715 14.325 9.823 1.00 0.00 C ATOM 774 O GLY A 56 -1.729 15.409 9.272 1.00 0.00 O ATOM 0 H GLY A 56 -3.555 15.893 10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.386 13.432 11.666 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.453 13.145 10.306 1.00 0.00 H new ATOM 778 N PHE A 57 -0.758 13.468 9.623 1.00 0.00 N ATOM 779 CA PHE A 57 0.363 13.790 8.705 1.00 0.00 C ATOM 780 C PHE A 57 -0.135 13.775 7.261 1.00 0.00 C ATOM 781 O PHE A 57 -0.808 12.859 6.834 1.00 0.00 O ATOM 782 CB PHE A 57 1.459 12.738 8.871 1.00 0.00 C ATOM 783 CG PHE A 57 2.450 13.215 9.909 1.00 0.00 C ATOM 784 CD1 PHE A 57 3.541 14.005 9.525 1.00 0.00 C ATOM 785 CD2 PHE A 57 2.275 12.871 11.253 1.00 0.00 C ATOM 786 CE1 PHE A 57 4.455 14.451 10.486 1.00 0.00 C ATOM 787 CE2 PHE A 57 3.189 13.317 12.216 1.00 0.00 C ATOM 788 CZ PHE A 57 4.279 14.106 11.832 1.00 0.00 C ATOM 0 H PHE A 57 -0.704 12.549 10.061 1.00 0.00 H new ATOM 0 HA PHE A 57 0.756 14.779 8.941 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.024 11.786 9.176 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.964 12.567 7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.677 14.270 8.487 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.434 12.261 11.549 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.296 15.061 10.190 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.053 13.052 13.254 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.985 14.449 12.574 1.00 0.00 H new ATOM 798 N ILE A 58 0.205 14.776 6.505 1.00 0.00 N ATOM 799 CA ILE A 58 -0.231 14.817 5.082 1.00 0.00 C ATOM 800 C ILE A 58 1.014 14.902 4.204 1.00 0.00 C ATOM 801 O ILE A 58 1.985 15.537 4.562 1.00 0.00 O ATOM 802 CB ILE A 58 -1.117 16.042 4.848 1.00 0.00 C ATOM 803 CG1 ILE A 58 -0.393 17.299 5.333 1.00 0.00 C ATOM 804 CG2 ILE A 58 -2.426 15.876 5.623 1.00 0.00 C ATOM 805 CD1 ILE A 58 -0.901 18.512 4.553 1.00 0.00 C ATOM 0 H ILE A 58 0.767 15.571 6.810 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.803 13.922 4.837 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.332 16.137 3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.564 17.441 6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.683 17.189 5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.059 16.748 5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.943 14.981 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.209 15.781 6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.386 19.408 4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.707 18.368 3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.973 18.625 4.714 1.00 0.00 H new ATOM 817 N PRO A 59 1.001 14.236 3.042 1.00 0.00 N ATOM 818 CA PRO A 59 2.154 14.238 2.142 1.00 0.00 C ATOM 819 C PRO A 59 2.393 15.624 1.534 1.00 0.00 C ATOM 820 O PRO A 59 1.488 16.426 1.421 1.00 0.00 O ATOM 821 CB PRO A 59 1.772 13.223 1.067 1.00 0.00 C ATOM 822 CG PRO A 59 0.285 13.195 1.087 1.00 0.00 C ATOM 823 CD PRO A 59 -0.120 13.439 2.513 1.00 0.00 C ATOM 0 HA PRO A 59 3.083 13.987 2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.150 13.521 0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.190 12.240 1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.128 13.960 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.091 12.235 0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.065 13.978 2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.247 12.506 3.062 1.00 0.00 H new ATOM 831 N SER A 60 3.605 15.918 1.164 1.00 0.00 N ATOM 832 CA SER A 60 3.904 17.259 0.589 1.00 0.00 C ATOM 833 C SER A 60 3.562 17.299 -0.902 1.00 0.00 C ATOM 834 O SER A 60 3.858 18.261 -1.583 1.00 0.00 O ATOM 835 CB SER A 60 5.390 17.560 0.777 1.00 0.00 C ATOM 836 OG SER A 60 6.160 16.532 0.171 1.00 0.00 O ATOM 0 H SER A 60 4.404 15.288 1.234 1.00 0.00 H new ATOM 0 HA SER A 60 3.299 18.006 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.636 18.524 0.332 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.627 17.629 1.839 1.00 0.00 H new ATOM 0 HG SER A 60 7.114 16.725 0.289 1.00 0.00 H new ATOM 842 N ASN A 61 2.957 16.271 -1.428 1.00 0.00 N ATOM 843 CA ASN A 61 2.629 16.283 -2.881 1.00 0.00 C ATOM 844 C ASN A 61 1.116 16.396 -3.092 1.00 0.00 C ATOM 845 O ASN A 61 0.648 17.242 -3.827 1.00 0.00 O ATOM 846 CB ASN A 61 3.161 14.998 -3.531 1.00 0.00 C ATOM 847 CG ASN A 61 2.035 14.277 -4.278 1.00 0.00 C ATOM 848 OD1 ASN A 61 1.541 14.765 -5.276 1.00 0.00 O ATOM 849 ND2 ASN A 61 1.608 13.129 -3.834 1.00 0.00 N ATOM 0 H ASN A 61 2.678 15.431 -0.921 1.00 0.00 H new ATOM 0 HA ASN A 61 3.101 17.148 -3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.969 15.239 -4.222 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.579 14.342 -2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.859 12.639 -4.324 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.023 12.720 -2.997 1.00 0.00 H new ATOM 856 N TYR A 62 0.351 15.540 -2.480 1.00 0.00 N ATOM 857 CA TYR A 62 -1.130 15.586 -2.675 1.00 0.00 C ATOM 858 C TYR A 62 -1.661 17.006 -2.490 1.00 0.00 C ATOM 859 O TYR A 62 -2.225 17.591 -3.393 1.00 0.00 O ATOM 860 CB TYR A 62 -1.818 14.683 -1.649 1.00 0.00 C ATOM 861 CG TYR A 62 -1.761 13.238 -2.086 1.00 0.00 C ATOM 862 CD1 TYR A 62 -1.851 12.898 -3.444 1.00 0.00 C ATOM 863 CD2 TYR A 62 -1.618 12.235 -1.124 1.00 0.00 C ATOM 864 CE1 TYR A 62 -1.797 11.554 -3.831 1.00 0.00 C ATOM 865 CE2 TYR A 62 -1.562 10.893 -1.510 1.00 0.00 C ATOM 866 CZ TYR A 62 -1.651 10.550 -2.865 1.00 0.00 C ATOM 867 OH TYR A 62 -1.595 9.226 -3.247 1.00 0.00 O ATOM 0 H TYR A 62 0.683 14.808 -1.852 1.00 0.00 H new ATOM 0 HA TYR A 62 -1.343 15.246 -3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.335 14.794 -0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.857 14.990 -1.525 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.962 13.672 -4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.551 12.498 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.868 11.291 -4.876 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.450 10.121 -0.764 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.025 9.138 -4.039 1.00 0.00 H new ATOM 877 N VAL A 63 -1.522 17.546 -1.316 1.00 0.00 N ATOM 878 CA VAL A 63 -2.061 18.911 -1.059 1.00 0.00 C ATOM 879 C VAL A 63 -1.129 19.982 -1.626 1.00 0.00 C ATOM 880 O VAL A 63 0.057 19.782 -1.790 1.00 0.00 O ATOM 881 CB VAL A 63 -2.229 19.120 0.446 1.00 0.00 C ATOM 882 CG1 VAL A 63 -2.898 17.888 1.061 1.00 0.00 C ATOM 883 CG2 VAL A 63 -0.855 19.324 1.089 1.00 0.00 C ATOM 0 H VAL A 63 -1.059 17.104 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.028 19.000 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.849 19.999 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.018 18.037 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.876 17.739 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.277 17.010 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.974 19.473 2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.236 18.445 0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.375 20.200 0.652 1.00 0.00 H new ATOM 893 N ALA A 64 -1.685 21.126 -1.922 1.00 0.00 N ATOM 894 CA ALA A 64 -0.886 22.249 -2.481 1.00 0.00 C ATOM 895 C ALA A 64 -1.243 23.529 -1.723 1.00 0.00 C ATOM 896 O ALA A 64 -2.268 23.607 -1.074 1.00 0.00 O ATOM 897 CB ALA A 64 -1.233 22.428 -3.961 1.00 0.00 C ATOM 0 H ALA A 64 -2.676 21.331 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 64 0.178 22.037 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.649 23.250 -4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.002 21.511 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.295 22.651 -4.061 1.00 0.00 H new ATOM 903 N LYS A 65 -0.415 24.532 -1.796 1.00 0.00 N ATOM 904 CA LYS A 65 -0.726 25.797 -1.075 1.00 0.00 C ATOM 905 C LYS A 65 -1.807 26.566 -1.837 1.00 0.00 C ATOM 906 O LYS A 65 -1.917 26.472 -3.043 1.00 0.00 O ATOM 907 CB LYS A 65 0.537 26.657 -0.979 1.00 0.00 C ATOM 908 CG LYS A 65 1.597 25.923 -0.156 1.00 0.00 C ATOM 909 CD LYS A 65 2.653 26.924 0.321 1.00 0.00 C ATOM 910 CE LYS A 65 3.845 26.168 0.913 1.00 0.00 C ATOM 911 NZ LYS A 65 4.725 27.123 1.643 1.00 0.00 N ATOM 0 H LYS A 65 0.460 24.532 -2.321 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.083 25.563 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.920 26.870 -1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.302 27.615 -0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.133 25.431 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.064 25.143 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.981 27.547 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.225 27.591 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.495 25.389 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.406 25.673 0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.535 26.610 2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.069 27.851 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.186 27.575 2.409 1.00 0.00 H new ATOM 925 N LEU A 66 -2.607 27.330 -1.143 1.00 0.00 N ATOM 926 CA LEU A 66 -3.679 28.106 -1.828 1.00 0.00 C ATOM 927 C LEU A 66 -3.057 29.312 -2.536 1.00 0.00 C ATOM 928 O LEU A 66 -1.878 29.327 -2.834 1.00 0.00 O ATOM 929 CB LEU A 66 -4.700 28.586 -0.795 1.00 0.00 C ATOM 930 CG LEU A 66 -5.367 27.377 -0.136 1.00 0.00 C ATOM 931 CD1 LEU A 66 -5.631 27.680 1.340 1.00 0.00 C ATOM 932 CD2 LEU A 66 -6.692 27.080 -0.840 1.00 0.00 C ATOM 0 H LEU A 66 -2.564 27.450 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.179 27.473 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.208 29.200 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.452 29.213 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.710 26.511 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.106 26.818 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.687 27.892 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.288 28.546 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.168 26.219 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.349 27.946 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.505 26.863 -1.892 1.00 0.00 H new ATOM 944 N ASN A 67 -3.834 30.323 -2.809 1.00 0.00 N ATOM 945 CA ASN A 67 -3.280 31.524 -3.497 1.00 0.00 C ATOM 946 C ASN A 67 -3.097 31.222 -4.986 1.00 0.00 C ATOM 947 O ASN A 67 -2.393 30.305 -5.361 1.00 0.00 O ATOM 948 CB ASN A 67 -1.927 31.885 -2.881 1.00 0.00 C ATOM 949 CG ASN A 67 -1.619 33.359 -3.151 1.00 0.00 C ATOM 950 OD1 ASN A 67 -2.142 34.232 -2.487 1.00 0.00 O ATOM 951 ND2 ASN A 67 -0.786 33.675 -4.105 1.00 0.00 N ATOM 0 H ASN A 67 -4.828 30.370 -2.586 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.969 32.360 -3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.943 31.697 -1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.144 31.256 -3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.574 34.655 -4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.347 32.942 -4.662 1.00 0.00 H new ATOM 958 N THR A 68 -3.724 31.987 -5.837 1.00 0.00 N ATOM 959 CA THR A 68 -3.584 31.745 -7.300 1.00 0.00 C ATOM 960 C THR A 68 -3.160 33.041 -7.993 1.00 0.00 C ATOM 961 O THR A 68 -3.791 34.056 -7.746 1.00 0.00 O ATOM 962 CB THR A 68 -4.924 31.275 -7.871 1.00 0.00 C ATOM 963 OG1 THR A 68 -5.339 30.098 -7.193 1.00 0.00 O ATOM 964 CG2 THR A 68 -4.769 30.981 -9.363 1.00 0.00 C ATOM 965 OXT THR A 68 -2.213 32.997 -8.761 1.00 0.00 O ATOM 0 H THR A 68 -4.327 32.769 -5.582 1.00 0.00 H new ATOM 0 HA THR A 68 -2.828 30.978 -7.470 1.00 0.00 H new ATOM 0 HB THR A 68 -5.672 32.055 -7.734 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.198 29.797 -7.556 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.724 30.646 -9.769 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.452 31.886 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.021 30.201 -9.504 1.00 0.00 H new TER 973 THR A 68 ATOM 974 N TRP B 170 -13.255 10.748 -22.331 1.00 0.00 N ATOM 975 CA TRP B 170 -12.704 10.966 -20.963 1.00 0.00 C ATOM 976 C TRP B 170 -11.249 11.427 -21.066 1.00 0.00 C ATOM 977 O TRP B 170 -10.678 11.480 -22.137 1.00 0.00 O ATOM 978 CB TRP B 170 -12.771 9.658 -20.171 1.00 0.00 C ATOM 979 CG TRP B 170 -13.967 9.680 -19.275 1.00 0.00 C ATOM 980 CD1 TRP B 170 -14.141 10.527 -18.235 1.00 0.00 C ATOM 981 CD2 TRP B 170 -15.152 8.835 -19.319 1.00 0.00 C ATOM 982 NE1 TRP B 170 -15.359 10.256 -17.638 1.00 0.00 N ATOM 983 CE2 TRP B 170 -16.020 9.222 -18.270 1.00 0.00 C ATOM 984 CE3 TRP B 170 -15.555 7.781 -20.158 1.00 0.00 C ATOM 985 CZ2 TRP B 170 -17.244 8.585 -18.062 1.00 0.00 C ATOM 986 CZ3 TRP B 170 -16.787 7.138 -19.952 1.00 0.00 C ATOM 987 CH2 TRP B 170 -17.630 7.541 -18.905 1.00 0.00 C ATOM 0 HA TRP B 170 -13.291 11.730 -20.453 1.00 0.00 H new ATOM 0 HB2 TRP B 170 -12.830 8.810 -20.853 1.00 0.00 H new ATOM 0 HB3 TRP B 170 -11.863 9.530 -19.581 1.00 0.00 H new ATOM 0 HD1 TRP B 170 -13.443 11.290 -17.922 1.00 0.00 H new ATOM 0 HE1 TRP B 170 -15.724 10.759 -16.829 1.00 0.00 H new ATOM 0 HE3 TRP B 170 -14.913 7.464 -20.966 1.00 0.00 H new ATOM 0 HZ2 TRP B 170 -17.889 8.898 -17.254 1.00 0.00 H new ATOM 0 HZ3 TRP B 170 -17.087 6.330 -20.603 1.00 0.00 H new ATOM 0 HH2 TRP B 170 -18.577 7.044 -18.751 1.00 0.00 H new ATOM 1000 N ASP B 171 -10.643 11.761 -19.959 1.00 0.00 N ATOM 1001 CA ASP B 171 -9.228 12.219 -19.992 1.00 0.00 C ATOM 1002 C ASP B 171 -8.707 12.312 -18.559 1.00 0.00 C ATOM 1003 O ASP B 171 -7.719 11.699 -18.206 1.00 0.00 O ATOM 1004 CB ASP B 171 -9.147 13.595 -20.655 1.00 0.00 C ATOM 1005 CG ASP B 171 -8.054 13.583 -21.725 1.00 0.00 C ATOM 1006 OD1 ASP B 171 -7.088 12.859 -21.549 1.00 0.00 O ATOM 1007 OD2 ASP B 171 -8.201 14.299 -22.702 1.00 0.00 O ATOM 0 H ASP B 171 -11.069 11.736 -19.033 1.00 0.00 H new ATOM 0 HA ASP B 171 -8.625 11.513 -20.562 1.00 0.00 H new ATOM 0 HB2 ASP B 171 -10.107 13.851 -21.104 1.00 0.00 H new ATOM 0 HB3 ASP B 171 -8.931 14.358 -19.908 1.00 0.00 H new ATOM 1012 N PRO B 172 -9.398 13.093 -17.717 1.00 0.00 N ATOM 1013 CA PRO B 172 -9.021 13.271 -16.311 1.00 0.00 C ATOM 1014 C PRO B 172 -9.215 11.985 -15.500 1.00 0.00 C ATOM 1015 O PRO B 172 -8.319 11.172 -15.387 1.00 0.00 O ATOM 1016 CB PRO B 172 -9.984 14.352 -15.820 1.00 0.00 C ATOM 1017 CG PRO B 172 -11.159 14.247 -16.728 1.00 0.00 C ATOM 1018 CD PRO B 172 -10.603 13.869 -18.069 1.00 0.00 C ATOM 0 HA PRO B 172 -7.969 13.534 -16.198 1.00 0.00 H new ATOM 0 HB2 PRO B 172 -10.270 14.187 -14.781 1.00 0.00 H new ATOM 0 HB3 PRO B 172 -9.530 15.341 -15.872 1.00 0.00 H new ATOM 0 HG2 PRO B 172 -11.864 13.496 -16.371 1.00 0.00 H new ATOM 0 HG3 PRO B 172 -11.699 15.192 -16.780 1.00 0.00 H new ATOM 0 HD2 PRO B 172 -11.311 13.276 -18.648 1.00 0.00 H new ATOM 0 HD3 PRO B 172 -10.358 14.747 -18.667 1.00 0.00 H new ATOM 1026 N GLY B 173 -10.376 11.797 -14.934 1.00 0.00 N ATOM 1027 CA GLY B 173 -10.621 10.566 -14.132 1.00 0.00 C ATOM 1028 C GLY B 173 -10.084 10.773 -12.715 1.00 0.00 C ATOM 1029 O GLY B 173 -9.913 9.833 -11.963 1.00 0.00 O ATOM 0 H GLY B 173 -11.164 12.442 -14.992 1.00 0.00 H new ATOM 0 HA2 GLY B 173 -11.688 10.345 -14.101 1.00 0.00 H new ATOM 0 HA3 GLY B 173 -10.131 9.711 -14.598 1.00 0.00 H new ATOM 1033 N MET B 174 -9.817 11.996 -12.346 1.00 0.00 N ATOM 1034 CA MET B 174 -9.291 12.261 -10.978 1.00 0.00 C ATOM 1035 C MET B 174 -8.092 11.351 -10.712 1.00 0.00 C ATOM 1036 O MET B 174 -8.237 10.241 -10.239 1.00 0.00 O ATOM 1037 CB MET B 174 -10.385 11.982 -9.947 1.00 0.00 C ATOM 1038 CG MET B 174 -11.442 13.085 -10.011 1.00 0.00 C ATOM 1039 SD MET B 174 -11.374 14.074 -8.496 1.00 0.00 S ATOM 1040 CE MET B 174 -12.995 14.859 -8.664 1.00 0.00 C ATOM 0 H MET B 174 -9.940 12.822 -12.932 1.00 0.00 H new ATOM 0 HA MET B 174 -8.981 13.303 -10.902 1.00 0.00 H new ATOM 0 HB2 MET B 174 -10.844 11.013 -10.142 1.00 0.00 H new ATOM 0 HB3 MET B 174 -9.953 11.935 -8.947 1.00 0.00 H new ATOM 0 HG2 MET B 174 -11.269 13.719 -10.880 1.00 0.00 H new ATOM 0 HG3 MET B 174 -12.433 12.647 -10.128 1.00 0.00 H new ATOM 0 HE1 MET B 174 -12.905 15.927 -8.464 1.00 0.00 H new ATOM 0 HE2 MET B 174 -13.368 14.710 -9.677 1.00 0.00 H new ATOM 0 HE3 MET B 174 -13.690 14.414 -7.952 1.00 0.00 H new ATOM 1050 N PRO B 175 -6.881 11.836 -11.024 1.00 0.00 N ATOM 1051 CA PRO B 175 -5.650 11.072 -10.823 1.00 0.00 C ATOM 1052 C PRO B 175 -5.223 11.071 -9.356 1.00 0.00 C ATOM 1053 O PRO B 175 -6.006 11.347 -8.471 1.00 0.00 O ATOM 1054 CB PRO B 175 -4.621 11.816 -11.669 1.00 0.00 C ATOM 1055 CG PRO B 175 -5.129 13.218 -11.762 1.00 0.00 C ATOM 1056 CD PRO B 175 -6.626 13.167 -11.598 1.00 0.00 C ATOM 0 HA PRO B 175 -5.767 10.025 -11.101 1.00 0.00 H new ATOM 0 HB2 PRO B 175 -3.634 11.785 -11.207 1.00 0.00 H new ATOM 0 HB3 PRO B 175 -4.524 11.366 -12.657 1.00 0.00 H new ATOM 0 HG2 PRO B 175 -4.679 13.841 -10.989 1.00 0.00 H new ATOM 0 HG3 PRO B 175 -4.863 13.660 -12.722 1.00 0.00 H new ATOM 0 HD2 PRO B 175 -6.982 13.959 -10.940 1.00 0.00 H new ATOM 0 HD3 PRO B 175 -7.136 13.293 -12.553 1.00 0.00 H new ATOM 1064 N THR B 176 -3.986 10.761 -9.100 1.00 0.00 N ATOM 1065 CA THR B 176 -3.492 10.738 -7.694 1.00 0.00 C ATOM 1066 C THR B 176 -1.997 10.412 -7.687 1.00 0.00 C ATOM 1067 O THR B 176 -1.601 9.275 -7.847 1.00 0.00 O ATOM 1068 CB THR B 176 -4.248 9.670 -6.898 1.00 0.00 C ATOM 1069 OG1 THR B 176 -4.715 8.664 -7.785 1.00 0.00 O ATOM 1070 CG2 THR B 176 -5.435 10.307 -6.175 1.00 0.00 C ATOM 0 H THR B 176 -3.290 10.521 -9.806 1.00 0.00 H new ATOM 0 HA THR B 176 -3.658 11.714 -7.237 1.00 0.00 H new ATOM 0 HB THR B 176 -3.578 9.226 -6.162 1.00 0.00 H new ATOM 0 HG1 THR B 176 -5.198 7.979 -7.277 1.00 0.00 H new ATOM 0 HG21 THR B 176 -5.970 9.543 -5.610 1.00 0.00 H new ATOM 0 HG22 THR B 176 -5.075 11.077 -5.493 1.00 0.00 H new ATOM 0 HG23 THR B 176 -6.108 10.755 -6.906 1.00 0.00 H new ATOM 1078 N PRO B 177 -1.155 11.435 -7.494 1.00 0.00 N ATOM 1079 CA PRO B 177 0.303 11.267 -7.462 1.00 0.00 C ATOM 1080 C PRO B 177 0.758 10.512 -6.211 1.00 0.00 C ATOM 1081 O PRO B 177 0.073 10.488 -5.208 1.00 0.00 O ATOM 1082 CB PRO B 177 0.828 12.703 -7.425 1.00 0.00 C ATOM 1083 CG PRO B 177 -0.287 13.496 -6.832 1.00 0.00 C ATOM 1084 CD PRO B 177 -1.558 12.838 -7.291 1.00 0.00 C ATOM 0 HA PRO B 177 0.668 10.688 -8.310 1.00 0.00 H new ATOM 0 HB2 PRO B 177 1.733 12.779 -6.822 1.00 0.00 H new ATOM 0 HB3 PRO B 177 1.080 13.059 -8.424 1.00 0.00 H new ATOM 0 HG2 PRO B 177 -0.224 13.504 -5.744 1.00 0.00 H new ATOM 0 HG3 PRO B 177 -0.245 14.534 -7.161 1.00 0.00 H new ATOM 0 HD2 PRO B 177 -2.349 12.926 -6.546 1.00 0.00 H new ATOM 0 HD3 PRO B 177 -1.934 13.286 -8.211 1.00 0.00 H new ATOM 1092 N PRO B 178 1.943 9.887 -6.275 1.00 0.00 N ATOM 1093 CA PRO B 178 2.498 9.129 -5.147 1.00 0.00 C ATOM 1094 C PRO B 178 2.904 10.058 -4.000 1.00 0.00 C ATOM 1095 O PRO B 178 3.299 11.186 -4.214 1.00 0.00 O ATOM 1096 CB PRO B 178 3.735 8.456 -5.741 1.00 0.00 C ATOM 1097 CG PRO B 178 4.119 9.329 -6.889 1.00 0.00 C ATOM 1098 CD PRO B 178 2.833 9.869 -7.448 1.00 0.00 C ATOM 0 HA PRO B 178 1.780 8.425 -4.727 1.00 0.00 H new ATOM 0 HB2 PRO B 178 4.539 8.386 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO B 178 3.515 7.441 -6.070 1.00 0.00 H new ATOM 0 HG2 PRO B 178 4.772 10.138 -6.562 1.00 0.00 H new ATOM 0 HG3 PRO B 178 4.665 8.763 -7.644 1.00 0.00 H new ATOM 0 HD2 PRO B 178 2.964 10.865 -7.871 1.00 0.00 H new ATOM 0 HD3 PRO B 178 2.440 9.234 -8.243 1.00 0.00 H new ATOM 1106 N LEU B 179 2.809 9.596 -2.783 1.00 0.00 N ATOM 1107 CA LEU B 179 3.192 10.465 -1.636 1.00 0.00 C ATOM 1108 C LEU B 179 4.690 10.350 -1.385 1.00 0.00 C ATOM 1109 O LEU B 179 5.378 9.545 -1.982 1.00 0.00 O ATOM 1110 CB LEU B 179 2.451 10.040 -0.363 1.00 0.00 C ATOM 1111 CG LEU B 179 1.391 8.986 -0.677 1.00 0.00 C ATOM 1112 CD1 LEU B 179 2.025 7.597 -0.625 1.00 0.00 C ATOM 1113 CD2 LEU B 179 0.284 9.066 0.371 1.00 0.00 C ATOM 0 H LEU B 179 2.485 8.661 -2.535 1.00 0.00 H new ATOM 0 HA LEU B 179 2.925 11.493 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU B 179 3.162 9.642 0.361 1.00 0.00 H new ATOM 0 HB3 LEU B 179 1.981 10.909 0.096 1.00 0.00 H new ATOM 0 HG LEU B 179 0.979 9.165 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU B 179 1.270 6.844 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU B 179 2.828 7.536 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU B 179 2.431 7.419 0.371 1.00 0.00 H new ATOM 0 HD21 LEU B 179 -0.477 8.317 0.154 1.00 0.00 H new ATOM 0 HD22 LEU B 179 0.705 8.881 1.359 1.00 0.00 H new ATOM 0 HD23 LEU B 179 -0.167 10.058 0.349 1.00 0.00 H new ATOM 1125 N PRO B 180 5.191 11.174 -0.463 1.00 0.00 N ATOM 1126 CA PRO B 180 6.603 11.183 -0.088 1.00 0.00 C ATOM 1127 C PRO B 180 6.987 9.913 0.685 1.00 0.00 C ATOM 1128 O PRO B 180 6.203 8.992 0.801 1.00 0.00 O ATOM 1129 CB PRO B 180 6.741 12.441 0.770 1.00 0.00 C ATOM 1130 CG PRO B 180 5.369 12.713 1.291 1.00 0.00 C ATOM 1131 CD PRO B 180 4.397 12.160 0.282 1.00 0.00 C ATOM 0 HA PRO B 180 7.271 11.194 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO B 180 7.448 12.286 1.585 1.00 0.00 H new ATOM 0 HB3 PRO B 180 7.112 13.280 0.181 1.00 0.00 H new ATOM 0 HG2 PRO B 180 5.225 12.242 2.263 1.00 0.00 H new ATOM 0 HG3 PRO B 180 5.214 13.783 1.429 1.00 0.00 H new ATOM 0 HD2 PRO B 180 3.537 11.698 0.766 1.00 0.00 H new ATOM 0 HD3 PRO B 180 4.012 12.941 -0.373 1.00 0.00 H new ATOM 1139 N PRO B 181 8.234 9.841 1.179 1.00 0.00 N ATOM 1140 CA PRO B 181 8.741 8.665 1.885 1.00 0.00 C ATOM 1141 C PRO B 181 8.542 8.700 3.404 1.00 0.00 C ATOM 1142 O PRO B 181 8.501 7.670 4.043 1.00 0.00 O ATOM 1143 CB PRO B 181 10.230 8.709 1.565 1.00 0.00 C ATOM 1144 CG PRO B 181 10.549 10.150 1.279 1.00 0.00 C ATOM 1145 CD PRO B 181 9.249 10.893 1.091 1.00 0.00 C ATOM 0 HA PRO B 181 8.214 7.764 1.571 1.00 0.00 H new ATOM 0 HB2 PRO B 181 10.820 8.337 2.402 1.00 0.00 H new ATOM 0 HB3 PRO B 181 10.463 8.080 0.706 1.00 0.00 H new ATOM 0 HG2 PRO B 181 11.119 10.583 2.101 1.00 0.00 H new ATOM 0 HG3 PRO B 181 11.167 10.232 0.385 1.00 0.00 H new ATOM 0 HD2 PRO B 181 9.107 11.652 1.860 1.00 0.00 H new ATOM 0 HD3 PRO B 181 9.215 11.403 0.129 1.00 0.00 H new ATOM 1153 N ARG B 182 8.440 9.859 3.993 1.00 0.00 N ATOM 1154 CA ARG B 182 8.266 9.926 5.476 1.00 0.00 C ATOM 1155 C ARG B 182 9.621 9.707 6.152 1.00 0.00 C ATOM 1156 O ARG B 182 10.033 8.588 6.386 1.00 0.00 O ATOM 1157 CB ARG B 182 7.291 8.837 5.946 1.00 0.00 C ATOM 1158 CG ARG B 182 5.927 9.036 5.288 1.00 0.00 C ATOM 1159 CD ARG B 182 4.988 7.905 5.710 1.00 0.00 C ATOM 1160 NE ARG B 182 3.827 7.847 4.778 1.00 0.00 N ATOM 1161 CZ ARG B 182 2.610 7.882 5.249 1.00 0.00 C ATOM 1162 NH1 ARG B 182 1.800 6.881 5.037 1.00 0.00 N ATOM 1163 NH2 ARG B 182 2.205 8.918 5.931 1.00 0.00 N ATOM 0 H ARG B 182 8.469 10.760 3.517 1.00 0.00 H new ATOM 0 HA ARG B 182 7.866 10.904 5.742 1.00 0.00 H new ATOM 0 HB2 ARG B 182 7.685 7.852 5.695 1.00 0.00 H new ATOM 0 HB3 ARG B 182 7.189 8.872 7.031 1.00 0.00 H new ATOM 0 HG2 ARG B 182 5.508 9.999 5.579 1.00 0.00 H new ATOM 0 HG3 ARG B 182 6.033 9.050 4.203 1.00 0.00 H new ATOM 0 HD2 ARG B 182 5.521 6.954 5.703 1.00 0.00 H new ATOM 0 HD3 ARG B 182 4.641 8.068 6.730 1.00 0.00 H new ATOM 0 HE ARG B 182 3.983 7.780 3.772 1.00 0.00 H new ATOM 0 HH11 ARG B 182 2.118 6.072 4.504 1.00 0.00 H new ATOM 0 HH12 ARG B 182 0.849 6.908 5.405 1.00 0.00 H new ATOM 0 HH21 ARG B 182 2.839 9.700 6.096 1.00 0.00 H new ATOM 0 HH22 ARG B 182 1.254 8.946 6.299 1.00 0.00 H new ATOM 1177 N PRO B 183 10.326 10.804 6.473 1.00 0.00 N ATOM 1178 CA PRO B 183 11.638 10.739 7.129 1.00 0.00 C ATOM 1179 C PRO B 183 11.531 10.205 8.560 1.00 0.00 C ATOM 1180 O PRO B 183 10.879 10.789 9.403 1.00 0.00 O ATOM 1181 CB PRO B 183 12.102 12.197 7.144 1.00 0.00 C ATOM 1182 CG PRO B 183 10.840 12.987 7.084 1.00 0.00 C ATOM 1183 CD PRO B 183 9.899 12.191 6.227 1.00 0.00 C ATOM 0 HA PRO B 183 12.323 10.066 6.613 1.00 0.00 H new ATOM 0 HB2 PRO B 183 12.671 12.424 8.046 1.00 0.00 H new ATOM 0 HB3 PRO B 183 12.749 12.417 6.295 1.00 0.00 H new ATOM 0 HG2 PRO B 183 10.427 13.140 8.081 1.00 0.00 H new ATOM 0 HG3 PRO B 183 11.017 13.974 6.658 1.00 0.00 H new ATOM 0 HD2 PRO B 183 8.859 12.351 6.512 1.00 0.00 H new ATOM 0 HD3 PRO B 183 9.985 12.460 5.174 1.00 0.00 H new ATOM 1191 N ALA B 184 12.161 9.096 8.839 1.00 0.00 N ATOM 1192 CA ALA B 184 12.089 8.526 10.212 1.00 0.00 C ATOM 1193 C ALA B 184 10.623 8.367 10.617 1.00 0.00 C ATOM 1194 O ALA B 184 10.181 8.909 11.610 1.00 0.00 O ATOM 1195 CB ALA B 184 12.785 9.467 11.194 1.00 0.00 C ATOM 0 H ALA B 184 12.722 8.562 8.175 1.00 0.00 H new ATOM 0 HA ALA B 184 12.583 7.554 10.228 1.00 0.00 H new ATOM 0 HB1 ALA B 184 12.732 9.048 12.199 1.00 0.00 H new ATOM 0 HB2 ALA B 184 13.829 9.586 10.906 1.00 0.00 H new ATOM 0 HB3 ALA B 184 12.291 10.439 11.179 1.00 0.00 H new ATOM 1201 N ASN B 185 9.866 7.632 9.853 1.00 0.00 N ATOM 1202 CA ASN B 185 8.430 7.443 10.192 1.00 0.00 C ATOM 1203 C ASN B 185 7.780 8.807 10.430 1.00 0.00 C ATOM 1204 O ASN B 185 7.129 9.031 11.431 1.00 0.00 O ATOM 1205 CB ASN B 185 8.307 6.589 11.456 1.00 0.00 C ATOM 1206 CG ASN B 185 9.372 5.490 11.433 1.00 0.00 C ATOM 1207 OD1 ASN B 185 9.804 5.041 10.287 1.00 0.00 O flip ATOM 1208 ND2 ASN B 185 9.815 5.035 12.470 1.00 0.00 N flip ATOM 0 H ASN B 185 10.180 7.154 9.008 1.00 0.00 H new ATOM 0 HA ASN B 185 7.927 6.939 9.367 1.00 0.00 H new ATOM 0 HB2 ASN B 185 8.430 7.212 12.342 1.00 0.00 H new ATOM 0 HB3 ASN B 185 7.313 6.146 11.513 1.00 0.00 H new ATOM 0 HD21 ASN B 185 9.477 5.386 13.366 1.00 0.00 H new ATOM 0 HD22 ASN B 185 10.524 4.302 12.444 1.00 0.00 H new ATOM 1215 N LEU B 186 7.954 9.722 9.515 1.00 0.00 N ATOM 1216 CA LEU B 186 7.349 11.072 9.685 1.00 0.00 C ATOM 1217 C LEU B 186 5.835 10.980 9.498 1.00 0.00 C ATOM 1218 O LEU B 186 5.083 10.931 10.450 1.00 0.00 O ATOM 1219 CB LEU B 186 7.933 12.025 8.642 1.00 0.00 C ATOM 1220 CG LEU B 186 7.306 13.408 8.819 1.00 0.00 C ATOM 1221 CD1 LEU B 186 7.640 13.939 10.210 1.00 0.00 C ATOM 1222 CD2 LEU B 186 7.864 14.365 7.764 1.00 0.00 C ATOM 0 H LEU B 186 8.490 9.592 8.657 1.00 0.00 H new ATOM 0 HA LEU B 186 7.569 11.446 10.685 1.00 0.00 H new ATOM 0 HB2 LEU B 186 9.016 12.086 8.753 1.00 0.00 H new ATOM 0 HB3 LEU B 186 7.737 11.649 7.638 1.00 0.00 H new ATOM 0 HG LEU B 186 6.225 13.333 8.703 1.00 0.00 H new ATOM 0 HD11 LEU B 186 7.194 14.925 10.340 1.00 0.00 H new ATOM 0 HD12 LEU B 186 7.243 13.259 10.964 1.00 0.00 H new ATOM 0 HD13 LEU B 186 8.722 14.012 10.321 1.00 0.00 H new ATOM 0 HD21 LEU B 186 7.415 15.350 7.893 1.00 0.00 H new ATOM 0 HD22 LEU B 186 8.945 14.441 7.878 1.00 0.00 H new ATOM 0 HD23 LEU B 186 7.629 13.987 6.769 1.00 0.00 H new ATOM 1234 N GLY B 187 5.382 10.954 8.275 1.00 0.00 N ATOM 1235 CA GLY B 187 3.920 10.860 8.028 1.00 0.00 C ATOM 1236 C GLY B 187 3.438 9.461 8.408 1.00 0.00 C ATOM 1237 O GLY B 187 2.264 9.158 8.348 1.00 0.00 O ATOM 0 H GLY B 187 5.963 10.994 7.437 1.00 0.00 H new ATOM 0 HA2 GLY B 187 3.391 11.612 8.613 1.00 0.00 H new ATOM 0 HA3 GLY B 187 3.702 11.061 6.979 1.00 0.00 H new ATOM 1241 N GLU B 188 4.342 8.605 8.801 1.00 0.00 N ATOM 1242 CA GLU B 188 3.943 7.226 9.185 1.00 0.00 C ATOM 1243 C GLU B 188 3.289 7.255 10.567 1.00 0.00 C ATOM 1244 O GLU B 188 2.081 7.285 10.694 1.00 0.00 O ATOM 1245 CB GLU B 188 5.181 6.328 9.223 1.00 0.00 C ATOM 1246 CG GLU B 188 5.598 5.975 7.794 1.00 0.00 C ATOM 1247 CD GLU B 188 6.195 4.567 7.769 1.00 0.00 C ATOM 1248 OE1 GLU B 188 7.013 4.277 8.627 1.00 0.00 O ATOM 1249 OE2 GLU B 188 5.825 3.803 6.893 1.00 0.00 O ATOM 0 H GLU B 188 5.340 8.804 8.872 1.00 0.00 H new ATOM 0 HA GLU B 188 3.235 6.834 8.455 1.00 0.00 H new ATOM 0 HB2 GLU B 188 5.997 6.837 9.736 1.00 0.00 H new ATOM 0 HB3 GLU B 188 4.967 5.419 9.786 1.00 0.00 H new ATOM 0 HG2 GLU B 188 4.736 6.028 7.129 1.00 0.00 H new ATOM 0 HG3 GLU B 188 6.328 6.697 7.428 1.00 0.00 H new ATOM 1256 N ARG B 189 4.080 7.248 11.602 1.00 0.00 N ATOM 1257 CA ARG B 189 3.511 7.277 12.980 1.00 0.00 C ATOM 1258 C ARG B 189 2.883 5.921 13.303 1.00 0.00 C ATOM 1259 O ARG B 189 1.699 5.717 13.130 1.00 0.00 O ATOM 1260 CB ARG B 189 2.441 8.368 13.066 1.00 0.00 C ATOM 1261 CG ARG B 189 2.646 9.183 14.345 1.00 0.00 C ATOM 1262 CD ARG B 189 2.139 8.382 15.547 1.00 0.00 C ATOM 1263 NE ARG B 189 3.164 8.407 16.628 1.00 0.00 N ATOM 1264 CZ ARG B 189 3.455 9.529 17.226 1.00 0.00 C ATOM 1265 NH1 ARG B 189 2.519 10.209 17.830 1.00 0.00 N ATOM 1266 NH2 ARG B 189 4.683 9.970 17.222 1.00 0.00 N ATOM 0 H ARG B 189 5.099 7.223 11.555 1.00 0.00 H new ATOM 0 HA ARG B 189 4.305 7.488 13.696 1.00 0.00 H new ATOM 0 HB2 ARG B 189 2.499 9.019 12.194 1.00 0.00 H new ATOM 0 HB3 ARG B 189 1.448 7.919 13.063 1.00 0.00 H new ATOM 0 HG2 ARG B 189 3.702 9.421 14.472 1.00 0.00 H new ATOM 0 HG3 ARG B 189 2.112 10.131 14.275 1.00 0.00 H new ATOM 0 HD2 ARG B 189 1.202 8.804 15.910 1.00 0.00 H new ATOM 0 HD3 ARG B 189 1.932 7.354 15.251 1.00 0.00 H new ATOM 0 HE ARG B 189 3.638 7.546 16.901 1.00 0.00 H new ATOM 0 HH11 ARG B 189 1.559 9.863 17.835 1.00 0.00 H new ATOM 0 HH12 ARG B 189 2.747 11.086 18.298 1.00 0.00 H new ATOM 0 HH21 ARG B 189 5.415 9.437 16.751 1.00 0.00 H new ATOM 0 HH22 ARG B 189 4.911 10.847 17.689 1.00 0.00 H new ATOM 1280 N GLN B 190 3.668 4.991 13.775 1.00 0.00 N ATOM 1281 CA GLN B 190 3.116 3.648 14.111 1.00 0.00 C ATOM 1282 C GLN B 190 2.576 3.664 15.543 1.00 0.00 C ATOM 1283 O GLN B 190 3.107 4.329 16.409 1.00 0.00 O ATOM 1284 CB GLN B 190 4.224 2.600 13.994 1.00 0.00 C ATOM 1285 CG GLN B 190 5.069 2.888 12.752 1.00 0.00 C ATOM 1286 CD GLN B 190 5.896 1.650 12.398 1.00 0.00 C ATOM 1287 OE1 GLN B 190 5.379 0.551 12.361 1.00 0.00 O ATOM 1288 NE2 GLN B 190 7.166 1.783 12.134 1.00 0.00 N ATOM 0 H GLN B 190 4.668 5.103 13.942 1.00 0.00 H new ATOM 0 HA GLN B 190 2.309 3.402 13.421 1.00 0.00 H new ATOM 0 HB2 GLN B 190 4.851 2.617 14.885 1.00 0.00 H new ATOM 0 HB3 GLN B 190 3.790 1.602 13.928 1.00 0.00 H new ATOM 0 HG2 GLN B 190 4.425 3.159 11.916 1.00 0.00 H new ATOM 0 HG3 GLN B 190 5.727 3.737 12.936 1.00 0.00 H new ATOM 0 HE21 GLN B 190 7.599 2.706 12.165 1.00 0.00 H new ATOM 0 HE22 GLN B 190 7.726 0.964 11.896 1.00 0.00 H new ATOM 1297 N ALA B 191 1.524 2.936 15.797 1.00 0.00 N ATOM 1298 CA ALA B 191 0.953 2.910 17.173 1.00 0.00 C ATOM 1299 C ALA B 191 1.290 1.577 17.841 1.00 0.00 C ATOM 1300 O ALA B 191 2.400 1.445 18.331 1.00 0.00 O ATOM 1301 CB ALA B 191 -0.567 3.073 17.099 1.00 0.00 C ATOM 1302 OXT ALA B 191 0.433 0.707 17.852 1.00 0.00 O ATOM 0 H ALA B 191 1.036 2.359 15.112 1.00 0.00 H new ATOM 0 HA ALA B 191 1.378 3.726 17.757 1.00 0.00 H new ATOM 0 HB1 ALA B 191 -0.984 3.054 18.106 1.00 0.00 H new ATOM 0 HB2 ALA B 191 -0.808 4.024 16.624 1.00 0.00 H new ATOM 0 HB3 ALA B 191 -0.992 2.257 16.514 1.00 0.00 H new TER 1308 ALA B 191