USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 922 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 1 MET N :NH3+ -132:sc= 0.101 (180deg=-0.0409) USER MOD Set 1.2: B 35 ASN :FLIP amide:sc= -0.0379 F(o=-0.56,f=0.063) USER MOD Set 2.1: A 35 ASN :FLIP amide:sc= -0.042 F(o=-0.51,f=0.071) USER MOD Set 2.2: B 1 MET N :NH3+ -125:sc= 0.113 (180deg=-0.0382) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00285 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -170:sc= 0 (180deg=-0.103) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.798 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -103:sc=-0.00199 (180deg=-0.291) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -2.74! C(o=-2.7!,f=-6.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 48 TYR OH : rot 175:sc= -0.606 USER MOD Single : A 49 GLN : amide:sc= -0.0541 K(o=-0.054,f=-0.64) USER MOD Single : A 52 GLN : amide:sc= -2.4! C(o=-2.4!,f=-9.6!) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.064) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc=0.000853 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 MET CE :methyl -171:sc= 0 (180deg=-0.115) USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.811 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 LYS NZ :NH3+ -143:sc= -0.0279 (180deg=-0.306) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 GLN : amide:sc= -2.78! C(o=-2.8!,f=-6.3!) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 TYR OH : rot 165:sc= -0.619 USER MOD Single : B 49 GLN : amide:sc= -0.0528 K(o=-0.053,f=-0.68) USER MOD Single : B 52 GLN : amide:sc= -2.38! C(o=-2.4!,f=-9.8!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.189 -9.165 -5.990 1.00 0.00 N ATOM 2 CA MET A 1 -1.183 -10.216 -4.939 1.00 0.00 C ATOM 3 C MET A 1 0.203 -10.368 -4.319 1.00 0.00 C ATOM 4 O MET A 1 0.816 -11.433 -4.394 1.00 0.00 O ATOM 5 CB MET A 1 -1.629 -11.537 -5.571 1.00 0.00 C ATOM 6 CG MET A 1 -0.699 -12.031 -6.667 1.00 0.00 C ATOM 7 SD MET A 1 -1.350 -11.729 -8.321 1.00 0.00 S ATOM 8 CE MET A 1 -2.198 -13.274 -8.638 1.00 0.00 C ATOM 0 H1 MET A 1 -1.998 -8.529 -5.840 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.305 -8.619 -5.940 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.268 -9.611 -6.926 1.00 0.00 H new ATOM 0 HA MET A 1 -1.868 -9.930 -4.141 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.697 -12.298 -4.793 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.630 -11.413 -5.984 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.268 -11.539 -6.566 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.528 -13.100 -6.538 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.655 -13.242 -9.627 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.484 -14.097 -8.594 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.972 -13.425 -7.886 1.00 0.00 H new ATOM 20 N LEU A 2 0.691 -9.295 -3.705 1.00 0.00 N ATOM 21 CA LEU A 2 2.005 -9.310 -3.071 1.00 0.00 C ATOM 22 C LEU A 2 1.883 -9.094 -1.566 1.00 0.00 C ATOM 23 O LEU A 2 1.627 -7.979 -1.110 1.00 0.00 O ATOM 24 CB LEU A 2 2.900 -8.229 -3.682 1.00 0.00 C ATOM 25 CG LEU A 2 3.789 -8.698 -4.835 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.073 -8.519 -6.165 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.110 -7.942 -4.831 1.00 0.00 C ATOM 0 H LEU A 2 0.197 -8.405 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 2 2.456 -10.287 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.269 -7.415 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.536 -7.819 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 2 4.001 -9.759 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.719 -8.857 -6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.154 -9.105 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.832 -7.466 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.730 -8.288 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.919 -6.875 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.629 -8.121 -3.889 1.00 0.00 H new ATOM 39 N ILE A 3 2.063 -10.164 -0.797 1.00 0.00 N ATOM 40 CA ILE A 3 1.966 -10.075 0.653 1.00 0.00 C ATOM 41 C ILE A 3 3.290 -9.628 1.267 1.00 0.00 C ATOM 42 O ILE A 3 4.269 -10.373 1.287 1.00 0.00 O ATOM 43 CB ILE A 3 1.508 -11.415 1.279 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.097 -11.213 2.739 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.595 -12.474 1.171 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.074 -12.078 3.162 1.00 0.00 C ATOM 0 H ILE A 3 2.275 -11.096 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 3 1.209 -9.323 0.878 1.00 0.00 H new ATOM 0 HB ILE A 3 0.641 -11.767 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.950 -11.430 3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.840 -10.165 2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.243 -13.403 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.833 -12.645 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.488 -12.134 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.311 -11.883 4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.941 -11.845 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.187 -13.129 3.039 1.00 0.00 H new ATOM 58 N LEU A 4 3.303 -8.396 1.765 1.00 0.00 N ATOM 59 CA LEU A 4 4.491 -7.822 2.383 1.00 0.00 C ATOM 60 C LEU A 4 4.260 -7.610 3.873 1.00 0.00 C ATOM 61 O LEU A 4 3.121 -7.490 4.318 1.00 0.00 O ATOM 62 CB LEU A 4 4.850 -6.492 1.715 1.00 0.00 C ATOM 63 CG LEU A 4 6.317 -6.077 1.842 1.00 0.00 C ATOM 64 CD1 LEU A 4 7.119 -6.578 0.650 1.00 0.00 C ATOM 65 CD2 LEU A 4 6.433 -4.566 1.970 1.00 0.00 C ATOM 0 H LEU A 4 2.496 -7.772 1.752 1.00 0.00 H new ATOM 0 HA LEU A 4 5.320 -8.517 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.597 -6.555 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.228 -5.707 2.146 1.00 0.00 H new ATOM 0 HG LEU A 4 6.727 -6.530 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.160 -6.273 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.062 -7.666 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.710 -6.155 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.483 -4.288 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.006 -4.092 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.893 -4.233 2.856 1.00 0.00 H new ATOM 77 N THR A 5 5.340 -7.558 4.642 1.00 0.00 N ATOM 78 CA THR A 5 5.228 -7.354 6.080 1.00 0.00 C ATOM 79 C THR A 5 5.280 -5.873 6.427 1.00 0.00 C ATOM 80 O THR A 5 6.227 -5.173 6.068 1.00 0.00 O ATOM 81 CB THR A 5 6.335 -8.099 6.822 1.00 0.00 C ATOM 82 OG1 THR A 5 6.933 -9.076 5.989 1.00 0.00 O ATOM 83 CG2 THR A 5 5.837 -8.795 8.068 1.00 0.00 C ATOM 0 H THR A 5 6.295 -7.653 4.298 1.00 0.00 H new ATOM 0 HA THR A 5 4.263 -7.752 6.395 1.00 0.00 H new ATOM 0 HB THR A 5 7.061 -7.338 7.109 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.640 -9.540 6.484 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.667 -9.308 8.554 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.414 -8.059 8.752 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.070 -9.521 7.797 1.00 0.00 H new ATOM 91 N ARG A 6 4.255 -5.401 7.127 1.00 0.00 N ATOM 92 CA ARG A 6 4.186 -4.001 7.520 1.00 0.00 C ATOM 93 C ARG A 6 4.771 -3.789 8.906 1.00 0.00 C ATOM 94 O ARG A 6 4.698 -4.667 9.766 1.00 0.00 O ATOM 95 CB ARG A 6 2.742 -3.500 7.486 1.00 0.00 C ATOM 96 CG ARG A 6 2.364 -2.821 6.178 1.00 0.00 C ATOM 97 CD ARG A 6 2.635 -3.718 4.980 1.00 0.00 C ATOM 98 NE ARG A 6 3.766 -3.244 4.187 1.00 0.00 N ATOM 99 CZ ARG A 6 3.698 -2.224 3.335 1.00 0.00 C ATOM 100 NH1 ARG A 6 2.556 -1.571 3.160 1.00 0.00 N ATOM 101 NH2 ARG A 6 4.775 -1.856 2.654 1.00 0.00 N ATOM 0 H ARG A 6 3.463 -5.966 7.433 1.00 0.00 H new ATOM 0 HA ARG A 6 4.777 -3.430 6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.070 -4.341 7.656 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.590 -2.799 8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.308 -2.552 6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.927 -1.894 6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.834 -4.733 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.745 -3.763 4.352 1.00 0.00 H new ATOM 0 HE ARG A 6 4.660 -3.723 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.724 -1.850 3.680 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.510 -0.790 2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.655 -2.355 2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.723 -1.074 2.001 1.00 0.00 H new ATOM 115 N ARG A 7 5.353 -2.610 9.108 1.00 0.00 N ATOM 116 CA ARG A 7 5.962 -2.246 10.383 1.00 0.00 C ATOM 117 C ARG A 7 7.379 -2.797 10.471 1.00 0.00 C ATOM 118 O ARG A 7 7.593 -3.922 10.921 1.00 0.00 O ATOM 119 CB ARG A 7 5.110 -2.756 11.549 1.00 0.00 C ATOM 120 CG ARG A 7 4.929 -1.741 12.669 1.00 0.00 C ATOM 121 CD ARG A 7 5.005 -2.410 14.032 1.00 0.00 C ATOM 122 NE ARG A 7 4.095 -3.550 14.130 1.00 0.00 N ATOM 123 CZ ARG A 7 3.721 -4.105 15.280 1.00 0.00 C ATOM 124 NH1 ARG A 7 4.182 -3.636 16.433 1.00 0.00 N ATOM 125 NH2 ARG A 7 2.885 -5.135 15.278 1.00 0.00 N ATOM 0 H ARG A 7 5.415 -1.883 8.395 1.00 0.00 H new ATOM 0 HA ARG A 7 6.012 -1.159 10.446 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.129 -3.044 11.171 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.571 -3.655 11.957 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.698 -0.972 12.595 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.967 -1.241 12.559 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.026 -2.743 14.217 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.762 -1.683 14.807 1.00 0.00 H new ATOM 0 HE ARG A 7 3.725 -3.944 13.265 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.827 -2.846 16.441 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.891 -4.066 17.311 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.529 -5.501 14.395 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.598 -5.561 16.159 1.00 0.00 H new ATOM 139 N VAL A 8 8.341 -1.993 10.017 1.00 0.00 N ATOM 140 CA VAL A 8 9.751 -2.378 10.013 1.00 0.00 C ATOM 141 C VAL A 8 10.080 -3.196 8.768 1.00 0.00 C ATOM 142 O VAL A 8 10.472 -4.360 8.859 1.00 0.00 O ATOM 143 CB VAL A 8 10.147 -3.183 11.271 1.00 0.00 C ATOM 144 CG1 VAL A 8 11.660 -3.267 11.394 1.00 0.00 C ATOM 145 CG2 VAL A 8 9.535 -2.563 12.521 1.00 0.00 C ATOM 0 H VAL A 8 8.165 -1.060 9.643 1.00 0.00 H new ATOM 0 HA VAL A 8 10.326 -1.452 10.012 1.00 0.00 H new ATOM 0 HB VAL A 8 9.756 -4.195 11.170 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.921 -3.837 12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.070 -3.762 10.513 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.075 -2.262 11.472 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.826 -3.145 13.396 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.892 -1.539 12.631 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.449 -2.561 12.432 1.00 0.00 H new ATOM 155 N GLY A 9 9.914 -2.575 7.603 1.00 0.00 N ATOM 156 CA GLY A 9 10.194 -3.252 6.351 1.00 0.00 C ATOM 157 C GLY A 9 10.589 -2.288 5.249 1.00 0.00 C ATOM 158 O GLY A 9 11.220 -1.263 5.510 1.00 0.00 O ATOM 0 H GLY A 9 9.590 -1.613 7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.996 -3.974 6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.313 -3.814 6.040 1.00 0.00 H new ATOM 162 N GLU A 10 10.221 -2.615 4.013 1.00 0.00 N ATOM 163 CA GLU A 10 10.546 -1.768 2.870 1.00 0.00 C ATOM 164 C GLU A 10 9.290 -1.157 2.253 1.00 0.00 C ATOM 165 O GLU A 10 8.414 -1.872 1.766 1.00 0.00 O ATOM 166 CB GLU A 10 11.304 -2.576 1.814 1.00 0.00 C ATOM 167 CG GLU A 10 12.153 -1.720 0.888 1.00 0.00 C ATOM 168 CD GLU A 10 13.443 -1.261 1.540 1.00 0.00 C ATOM 169 OE1 GLU A 10 13.412 -0.246 2.267 1.00 0.00 O ATOM 170 OE2 GLU A 10 14.483 -1.918 1.325 1.00 0.00 O ATOM 0 H GLU A 10 9.699 -3.459 3.778 1.00 0.00 H new ATOM 0 HA GLU A 10 11.178 -0.955 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.945 -3.301 2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.588 -3.142 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.387 -2.287 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.578 -0.849 0.575 1.00 0.00 H new ATOM 177 N THR A 11 9.214 0.172 2.272 1.00 0.00 N ATOM 178 CA THR A 11 8.070 0.889 1.710 1.00 0.00 C ATOM 179 C THR A 11 7.790 0.435 0.279 1.00 0.00 C ATOM 180 O THR A 11 8.702 0.034 -0.444 1.00 0.00 O ATOM 181 CB THR A 11 8.332 2.396 1.733 1.00 0.00 C ATOM 182 OG1 THR A 11 9.274 2.756 0.738 1.00 0.00 O ATOM 183 CG2 THR A 11 8.857 2.892 3.063 1.00 0.00 C ATOM 0 H THR A 11 9.933 0.776 2.671 1.00 0.00 H new ATOM 0 HA THR A 11 7.195 0.665 2.321 1.00 0.00 H new ATOM 0 HB THR A 11 7.364 2.861 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.427 3.724 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.021 3.968 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.130 2.673 3.845 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.798 2.392 3.292 1.00 0.00 H new ATOM 191 N LEU A 12 6.524 0.501 -0.125 1.00 0.00 N ATOM 192 CA LEU A 12 6.130 0.097 -1.472 1.00 0.00 C ATOM 193 C LEU A 12 5.703 1.307 -2.299 1.00 0.00 C ATOM 194 O LEU A 12 5.266 2.320 -1.753 1.00 0.00 O ATOM 195 CB LEU A 12 5.001 -0.946 -1.411 1.00 0.00 C ATOM 196 CG LEU A 12 3.568 -0.395 -1.457 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.662 -1.328 -2.245 1.00 0.00 C ATOM 198 CD2 LEU A 12 3.028 -0.190 -0.051 1.00 0.00 C ATOM 0 H LEU A 12 5.755 0.829 0.459 1.00 0.00 H new ATOM 0 HA LEU A 12 6.993 -0.357 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.129 -1.639 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.117 -1.524 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 12 3.589 0.571 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.651 -0.921 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.036 -1.424 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.648 -2.309 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.012 0.201 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.023 -1.142 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.661 0.519 0.482 1.00 0.00 H new ATOM 210 N MET A 13 5.825 1.195 -3.619 1.00 0.00 N ATOM 211 CA MET A 13 5.443 2.283 -4.509 1.00 0.00 C ATOM 212 C MET A 13 4.480 1.794 -5.583 1.00 0.00 C ATOM 213 O MET A 13 4.890 1.193 -6.576 1.00 0.00 O ATOM 214 CB MET A 13 6.681 2.896 -5.164 1.00 0.00 C ATOM 215 CG MET A 13 6.388 4.161 -5.956 1.00 0.00 C ATOM 216 SD MET A 13 7.325 4.252 -7.494 1.00 0.00 S ATOM 217 CE MET A 13 9.002 4.159 -6.875 1.00 0.00 C ATOM 0 H MET A 13 6.184 0.366 -4.092 1.00 0.00 H new ATOM 0 HA MET A 13 4.941 3.045 -3.912 1.00 0.00 H new ATOM 0 HB2 MET A 13 7.416 3.123 -4.391 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.133 2.159 -5.827 1.00 0.00 H new ATOM 0 HG2 MET A 13 5.322 4.205 -6.181 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.620 5.031 -5.342 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.701 4.380 -7.682 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.134 4.884 -6.072 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.194 3.156 -6.494 1.00 0.00 H new ATOM 227 N ILE A 14 3.196 2.059 -5.375 1.00 0.00 N ATOM 228 CA ILE A 14 2.168 1.652 -6.316 1.00 0.00 C ATOM 229 C ILE A 14 1.543 2.868 -6.999 1.00 0.00 C ATOM 230 O ILE A 14 1.130 3.820 -6.338 1.00 0.00 O ATOM 231 CB ILE A 14 1.073 0.826 -5.609 1.00 0.00 C ATOM 232 CG1 ILE A 14 -0.081 0.510 -6.565 1.00 0.00 C ATOM 233 CG2 ILE A 14 0.565 1.562 -4.380 1.00 0.00 C ATOM 234 CD1 ILE A 14 0.358 -0.176 -7.839 1.00 0.00 C ATOM 0 H ILE A 14 2.844 2.557 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 14 2.641 1.029 -7.075 1.00 0.00 H new ATOM 0 HB ILE A 14 1.513 -0.119 -5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.804 -0.124 -6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.595 1.437 -6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.207 0.966 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.390 1.725 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.147 2.523 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.512 -0.369 -8.467 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.058 0.465 -8.375 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.845 -1.120 -7.595 1.00 0.00 H new ATOM 246 N GLY A 15 1.480 2.829 -8.327 1.00 0.00 N ATOM 247 CA GLY A 15 0.911 3.934 -9.079 1.00 0.00 C ATOM 248 C GLY A 15 1.843 4.423 -10.171 1.00 0.00 C ATOM 249 O GLY A 15 1.964 3.791 -11.221 1.00 0.00 O ATOM 0 H GLY A 15 1.813 2.051 -8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.034 3.621 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.687 4.756 -8.400 1.00 0.00 H new ATOM 253 N ASP A 16 2.507 5.548 -9.922 1.00 0.00 N ATOM 254 CA ASP A 16 3.438 6.117 -10.895 1.00 0.00 C ATOM 255 C ASP A 16 4.325 7.202 -10.273 1.00 0.00 C ATOM 256 O ASP A 16 5.060 7.885 -10.984 1.00 0.00 O ATOM 257 CB ASP A 16 2.668 6.698 -12.082 1.00 0.00 C ATOM 258 CG ASP A 16 1.682 7.770 -11.662 1.00 0.00 C ATOM 259 OD1 ASP A 16 2.071 8.662 -10.879 1.00 0.00 O ATOM 260 OD2 ASP A 16 0.520 7.718 -12.117 1.00 0.00 O ATOM 0 H ASP A 16 2.419 6.083 -9.058 1.00 0.00 H new ATOM 0 HA ASP A 16 4.087 5.310 -11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.374 7.118 -12.799 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.134 5.897 -12.592 1.00 0.00 H new ATOM 265 N GLU A 17 4.257 7.349 -8.947 1.00 0.00 N ATOM 266 CA GLU A 17 5.050 8.343 -8.222 1.00 0.00 C ATOM 267 C GLU A 17 4.528 8.480 -6.795 1.00 0.00 C ATOM 268 O GLU A 17 4.135 9.564 -6.365 1.00 0.00 O ATOM 269 CB GLU A 17 5.003 9.709 -8.922 1.00 0.00 C ATOM 270 CG GLU A 17 5.925 10.745 -8.299 1.00 0.00 C ATOM 271 CD GLU A 17 7.388 10.359 -8.402 1.00 0.00 C ATOM 272 OE1 GLU A 17 7.786 9.817 -9.454 1.00 0.00 O ATOM 273 OE2 GLU A 17 8.135 10.600 -7.430 1.00 0.00 O ATOM 0 H GLU A 17 3.653 6.785 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 17 6.085 8.003 -8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.271 9.580 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.980 10.085 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.771 11.706 -8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.661 10.877 -7.250 1.00 0.00 H new ATOM 280 N VAL A 18 4.505 7.366 -6.072 1.00 0.00 N ATOM 281 CA VAL A 18 4.011 7.351 -4.710 1.00 0.00 C ATOM 282 C VAL A 18 5.120 7.013 -3.709 1.00 0.00 C ATOM 283 O VAL A 18 6.305 7.181 -3.997 1.00 0.00 O ATOM 284 CB VAL A 18 2.857 6.337 -4.579 1.00 0.00 C ATOM 285 CG1 VAL A 18 1.826 6.560 -5.675 1.00 0.00 C ATOM 286 CG2 VAL A 18 3.376 4.902 -4.609 1.00 0.00 C ATOM 0 H VAL A 18 4.826 6.460 -6.413 1.00 0.00 H new ATOM 0 HA VAL A 18 3.646 8.352 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 18 2.376 6.496 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.018 5.836 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.422 7.569 -5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.298 6.435 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.539 4.210 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.892 4.721 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.069 4.748 -3.782 1.00 0.00 H new ATOM 296 N THR A 19 4.718 6.532 -2.534 1.00 0.00 N ATOM 297 CA THR A 19 5.650 6.159 -1.477 1.00 0.00 C ATOM 298 C THR A 19 4.873 5.826 -0.209 1.00 0.00 C ATOM 299 O THR A 19 4.442 6.720 0.515 1.00 0.00 O ATOM 300 CB THR A 19 6.646 7.291 -1.204 1.00 0.00 C ATOM 301 OG1 THR A 19 6.141 8.528 -1.675 1.00 0.00 O ATOM 302 CG2 THR A 19 7.996 7.070 -1.850 1.00 0.00 C ATOM 0 H THR A 19 3.738 6.391 -2.290 1.00 0.00 H new ATOM 0 HA THR A 19 6.213 5.283 -1.799 1.00 0.00 H new ATOM 0 HB THR A 19 6.778 7.304 -0.122 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.791 9.238 -1.490 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.653 7.908 -1.617 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.435 6.148 -1.469 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.874 6.994 -2.931 1.00 0.00 H new ATOM 310 N VAL A 20 4.679 4.538 0.047 1.00 0.00 N ATOM 311 CA VAL A 20 3.930 4.106 1.220 1.00 0.00 C ATOM 312 C VAL A 20 4.852 3.605 2.327 1.00 0.00 C ATOM 313 O VAL A 20 5.357 2.483 2.268 1.00 0.00 O ATOM 314 CB VAL A 20 2.932 2.989 0.863 1.00 0.00 C ATOM 315 CG1 VAL A 20 2.013 2.693 2.038 1.00 0.00 C ATOM 316 CG2 VAL A 20 2.125 3.363 -0.371 1.00 0.00 C ATOM 0 H VAL A 20 5.028 3.779 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 20 3.387 4.980 1.579 1.00 0.00 H new ATOM 0 HB VAL A 20 3.498 2.085 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.316 1.901 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.608 2.373 2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.456 3.592 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.426 2.560 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.571 4.282 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.799 3.515 -1.214 1.00 0.00 H new ATOM 326 N THR A 21 5.052 4.439 3.343 1.00 0.00 N ATOM 327 CA THR A 21 5.896 4.079 4.477 1.00 0.00 C ATOM 328 C THR A 21 5.077 3.340 5.531 1.00 0.00 C ATOM 329 O THR A 21 3.888 3.609 5.704 1.00 0.00 O ATOM 330 CB THR A 21 6.534 5.329 5.087 1.00 0.00 C ATOM 331 OG1 THR A 21 7.235 6.066 4.101 1.00 0.00 O ATOM 332 CG2 THR A 21 7.504 5.020 6.206 1.00 0.00 C ATOM 0 H THR A 21 4.640 5.370 3.404 1.00 0.00 H new ATOM 0 HA THR A 21 6.689 3.421 4.123 1.00 0.00 H new ATOM 0 HB THR A 21 5.705 5.906 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.634 6.862 4.510 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.920 5.950 6.594 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.982 4.495 7.006 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.310 4.393 5.826 1.00 0.00 H new ATOM 340 N VAL A 22 5.713 2.403 6.225 1.00 0.00 N ATOM 341 CA VAL A 22 5.031 1.621 7.251 1.00 0.00 C ATOM 342 C VAL A 22 5.502 1.978 8.662 1.00 0.00 C ATOM 343 O VAL A 22 6.280 1.245 9.273 1.00 0.00 O ATOM 344 CB VAL A 22 5.226 0.113 7.010 1.00 0.00 C ATOM 345 CG1 VAL A 22 4.684 -0.278 5.644 1.00 0.00 C ATOM 346 CG2 VAL A 22 6.694 -0.272 7.135 1.00 0.00 C ATOM 0 H VAL A 22 6.697 2.166 6.097 1.00 0.00 H new ATOM 0 HA VAL A 22 3.972 1.868 7.177 1.00 0.00 H new ATOM 0 HB VAL A 22 4.669 -0.430 7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.829 -1.347 5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.620 -0.045 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.214 0.277 4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.806 -1.342 6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.279 0.279 6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.050 -0.029 8.136 1.00 0.00 H new ATOM 356 N LEU A 23 5.030 3.109 9.177 1.00 0.00 N ATOM 357 CA LEU A 23 5.413 3.550 10.516 1.00 0.00 C ATOM 358 C LEU A 23 4.326 3.214 11.546 1.00 0.00 C ATOM 359 O LEU A 23 3.594 2.238 11.383 1.00 0.00 O ATOM 360 CB LEU A 23 5.714 5.055 10.509 1.00 0.00 C ATOM 361 CG LEU A 23 6.664 5.561 11.611 1.00 0.00 C ATOM 362 CD1 LEU A 23 7.276 4.408 12.410 1.00 0.00 C ATOM 363 CD2 LEU A 23 7.761 6.426 11.008 1.00 0.00 C ATOM 0 H LEU A 23 4.386 3.734 8.692 1.00 0.00 H new ATOM 0 HA LEU A 23 6.316 3.014 10.808 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.142 5.315 9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.771 5.594 10.595 1.00 0.00 H new ATOM 0 HG LEU A 23 6.073 6.163 12.302 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.939 4.808 13.177 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.481 3.831 12.883 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.844 3.762 11.740 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.424 6.776 11.799 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.332 5.840 10.288 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.313 7.283 10.504 1.00 0.00 H new ATOM 375 N GLY A 24 4.227 4.018 12.612 1.00 0.00 N ATOM 376 CA GLY A 24 3.236 3.773 13.645 1.00 0.00 C ATOM 377 C GLY A 24 3.363 2.388 14.238 1.00 0.00 C ATOM 378 O GLY A 24 2.550 1.509 13.955 1.00 0.00 O ATOM 0 H GLY A 24 4.818 4.833 12.773 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.345 4.516 14.435 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.238 3.897 13.226 1.00 0.00 H new ATOM 382 N VAL A 25 4.392 2.187 15.052 1.00 0.00 N ATOM 383 CA VAL A 25 4.622 0.894 15.665 1.00 0.00 C ATOM 384 C VAL A 25 3.831 0.737 16.960 1.00 0.00 C ATOM 385 O VAL A 25 4.155 1.347 17.979 1.00 0.00 O ATOM 386 CB VAL A 25 6.120 0.685 15.959 1.00 0.00 C ATOM 387 CG1 VAL A 25 6.382 -0.733 16.444 1.00 0.00 C ATOM 388 CG2 VAL A 25 6.954 1.000 14.725 1.00 0.00 C ATOM 0 H VAL A 25 5.076 2.903 15.299 1.00 0.00 H new ATOM 0 HA VAL A 25 4.282 0.141 14.954 1.00 0.00 H new ATOM 0 HB VAL A 25 6.413 1.371 16.753 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.446 -0.858 16.645 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.816 -0.916 17.357 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.072 -1.443 15.677 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.009 0.847 14.950 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.658 0.342 13.908 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.792 2.037 14.432 1.00 0.00 H new ATOM 398 N LYS A 26 2.788 -0.085 16.905 1.00 0.00 N ATOM 399 CA LYS A 26 1.939 -0.329 18.064 1.00 0.00 C ATOM 400 C LYS A 26 1.603 -1.811 18.190 1.00 0.00 C ATOM 401 O LYS A 26 1.408 -2.502 17.190 1.00 0.00 O ATOM 402 CB LYS A 26 0.653 0.494 17.959 1.00 0.00 C ATOM 403 CG LYS A 26 0.677 1.769 18.786 1.00 0.00 C ATOM 404 CD LYS A 26 -0.020 2.914 18.066 1.00 0.00 C ATOM 405 CE LYS A 26 -0.929 3.693 19.004 1.00 0.00 C ATOM 406 NZ LYS A 26 -0.882 5.156 18.736 1.00 0.00 N ATOM 0 H LYS A 26 2.510 -0.595 16.066 1.00 0.00 H new ATOM 0 HA LYS A 26 2.485 -0.024 18.957 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.481 0.752 16.914 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.189 -0.120 18.278 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.190 1.591 19.745 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.709 2.046 18.999 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.726 3.585 17.640 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.605 2.520 17.235 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.953 3.337 18.895 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.634 3.503 20.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.296 5.623 19.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.471 5.324 17.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.846 5.546 18.767 1.00 0.00 H new ATOM 420 N GLY A 27 1.547 -2.296 19.427 1.00 0.00 N ATOM 421 CA GLY A 27 1.247 -3.696 19.671 1.00 0.00 C ATOM 422 C GLY A 27 0.034 -4.196 18.906 1.00 0.00 C ATOM 423 O GLY A 27 0.062 -5.290 18.342 1.00 0.00 O ATOM 0 H GLY A 27 1.705 -1.741 20.268 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.113 -4.298 19.397 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.080 -3.843 20.738 1.00 0.00 H new ATOM 427 N ASN A 28 -1.037 -3.407 18.892 1.00 0.00 N ATOM 428 CA ASN A 28 -2.258 -3.800 18.195 1.00 0.00 C ATOM 429 C ASN A 28 -2.420 -3.039 16.878 1.00 0.00 C ATOM 430 O ASN A 28 -2.023 -3.527 15.820 1.00 0.00 O ATOM 431 CB ASN A 28 -3.477 -3.570 19.093 1.00 0.00 C ATOM 432 CG ASN A 28 -3.528 -4.540 20.257 1.00 0.00 C ATOM 433 OD1 ASN A 28 -4.179 -5.582 20.184 1.00 0.00 O ATOM 434 ND2 ASN A 28 -2.838 -4.202 21.341 1.00 0.00 N ATOM 0 H ASN A 28 -1.085 -2.498 19.352 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.182 -4.862 17.960 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.456 -2.549 19.475 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.386 -3.670 18.500 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.834 -4.816 22.155 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.312 -3.328 21.359 1.00 0.00 H new ATOM 441 N GLN A 29 -3.015 -1.850 16.943 1.00 0.00 N ATOM 442 CA GLN A 29 -3.236 -1.038 15.751 1.00 0.00 C ATOM 443 C GLN A 29 -2.004 -0.201 15.418 1.00 0.00 C ATOM 444 O GLN A 29 -1.604 0.667 16.194 1.00 0.00 O ATOM 445 CB GLN A 29 -4.449 -0.128 15.956 1.00 0.00 C ATOM 446 CG GLN A 29 -5.701 -0.614 15.245 1.00 0.00 C ATOM 447 CD GLN A 29 -6.830 0.397 15.297 1.00 0.00 C ATOM 448 OE1 GLN A 29 -6.597 1.605 15.319 1.00 0.00 O ATOM 449 NE2 GLN A 29 -8.064 -0.095 15.318 1.00 0.00 N ATOM 0 H GLN A 29 -3.352 -1.429 17.808 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.426 -1.709 14.913 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.656 -0.047 17.023 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.205 0.874 15.601 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.462 -0.833 14.204 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.033 -1.548 15.699 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.211 -1.104 15.298 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.864 0.536 15.354 1.00 0.00 H new ATOM 458 N VAL A 30 -1.404 -0.471 14.263 1.00 0.00 N ATOM 459 CA VAL A 30 -0.213 0.252 13.834 1.00 0.00 C ATOM 460 C VAL A 30 -0.577 1.434 12.944 1.00 0.00 C ATOM 461 O VAL A 30 -1.414 1.312 12.050 1.00 0.00 O ATOM 462 CB VAL A 30 0.759 -0.668 13.071 1.00 0.00 C ATOM 463 CG1 VAL A 30 1.308 -1.748 13.991 1.00 0.00 C ATOM 464 CG2 VAL A 30 0.073 -1.286 11.862 1.00 0.00 C ATOM 0 H VAL A 30 -1.723 -1.185 13.608 1.00 0.00 H new ATOM 0 HA VAL A 30 0.276 0.617 14.737 1.00 0.00 H new ATOM 0 HB VAL A 30 1.596 -0.066 12.717 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.992 -2.387 13.434 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.840 -1.283 14.821 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.485 -2.348 14.379 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.776 -1.932 11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.784 -1.873 12.191 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.264 -0.496 11.192 1.00 0.00 H new ATOM 474 N ARG A 31 0.064 2.576 13.181 1.00 0.00 N ATOM 475 CA ARG A 31 -0.187 3.761 12.390 1.00 0.00 C ATOM 476 C ARG A 31 0.718 3.774 11.165 1.00 0.00 C ATOM 477 O ARG A 31 1.886 4.144 11.245 1.00 0.00 O ATOM 478 CB ARG A 31 0.036 5.023 13.227 1.00 0.00 C ATOM 479 CG ARG A 31 -1.244 5.609 13.798 1.00 0.00 C ATOM 480 CD ARG A 31 -0.977 6.904 14.549 1.00 0.00 C ATOM 481 NE ARG A 31 -1.735 6.981 15.795 1.00 0.00 N ATOM 482 CZ ARG A 31 -3.018 7.327 15.862 1.00 0.00 C ATOM 483 NH1 ARG A 31 -3.692 7.622 14.758 1.00 0.00 N ATOM 484 NH2 ARG A 31 -3.630 7.375 17.038 1.00 0.00 N ATOM 0 H ARG A 31 0.760 2.698 13.917 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.226 3.745 12.061 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.716 4.790 14.046 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.527 5.776 12.610 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.952 5.795 12.991 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.708 4.887 14.469 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.088 6.983 14.767 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.236 7.751 13.914 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.252 6.756 16.665 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.227 7.584 13.851 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.675 7.886 14.816 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.117 7.147 17.890 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.614 7.640 17.091 1.00 0.00 H new ATOM 498 N ILE A 32 0.173 3.366 10.033 1.00 0.00 N ATOM 499 CA ILE A 32 0.936 3.322 8.797 1.00 0.00 C ATOM 500 C ILE A 32 0.775 4.612 8.003 1.00 0.00 C ATOM 501 O ILE A 32 -0.308 5.195 7.959 1.00 0.00 O ATOM 502 CB ILE A 32 0.514 2.114 7.940 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.493 0.848 8.806 1.00 0.00 C ATOM 504 CG2 ILE A 32 1.455 1.944 6.757 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.803 0.577 9.514 1.00 0.00 C ATOM 0 H ILE A 32 -0.796 3.060 9.943 1.00 0.00 H new ATOM 0 HA ILE A 32 1.988 3.214 9.061 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.488 2.288 7.549 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.300 0.939 9.549 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.245 -0.008 8.178 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.141 1.086 6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.429 2.842 6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.470 1.783 7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.714 -0.333 10.107 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.596 0.454 8.777 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.043 1.415 10.169 1.00 0.00 H new ATOM 517 N GLY A 33 1.863 5.057 7.381 1.00 0.00 N ATOM 518 CA GLY A 33 1.826 6.282 6.605 1.00 0.00 C ATOM 519 C GLY A 33 1.848 6.029 5.114 1.00 0.00 C ATOM 520 O GLY A 33 2.871 5.628 4.563 1.00 0.00 O ATOM 0 H GLY A 33 2.770 4.590 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.927 6.843 6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.678 6.905 6.876 1.00 0.00 H new ATOM 524 N VAL A 34 0.720 6.266 4.457 1.00 0.00 N ATOM 525 CA VAL A 34 0.625 6.061 3.019 1.00 0.00 C ATOM 526 C VAL A 34 0.773 7.379 2.267 1.00 0.00 C ATOM 527 O VAL A 34 -0.157 8.186 2.219 1.00 0.00 O ATOM 528 CB VAL A 34 -0.715 5.408 2.628 1.00 0.00 C ATOM 529 CG1 VAL A 34 -0.728 5.059 1.147 1.00 0.00 C ATOM 530 CG2 VAL A 34 -0.978 4.173 3.478 1.00 0.00 C ATOM 0 H VAL A 34 -0.139 6.599 4.896 1.00 0.00 H new ATOM 0 HA VAL A 34 1.439 5.391 2.742 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.515 6.125 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.682 4.599 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.592 5.966 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.081 4.361 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.929 3.726 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.176 3.450 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.018 4.457 4.530 1.00 0.00 H new ATOM 540 N ASN A 35 1.948 7.592 1.683 1.00 0.00 N ATOM 541 CA ASN A 35 2.210 8.815 0.937 1.00 0.00 C ATOM 542 C ASN A 35 1.846 8.636 -0.532 1.00 0.00 C ATOM 543 O ASN A 35 2.538 7.945 -1.281 1.00 0.00 O ATOM 544 CB ASN A 35 3.679 9.222 1.070 1.00 0.00 C ATOM 545 CG ASN A 35 3.851 10.719 1.240 1.00 0.00 C ATOM 546 OD1 ASN A 35 3.147 11.289 2.211 1.00 0.00 O flip ATOM 547 ND2 ASN A 35 4.608 11.355 0.508 1.00 0.00 N flip ATOM 0 H ASN A 35 2.729 6.937 1.712 1.00 0.00 H new ATOM 0 HA ASN A 35 1.589 9.608 1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.119 8.709 1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.225 8.894 0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.130 10.876 -0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.714 12.362 0.635 1.00 0.00 H new ATOM 554 N ALA A 36 0.747 9.264 -0.929 1.00 0.00 N ATOM 555 CA ALA A 36 0.267 9.183 -2.303 1.00 0.00 C ATOM 556 C ALA A 36 0.081 10.573 -2.907 1.00 0.00 C ATOM 557 O ALA A 36 -0.371 11.497 -2.231 1.00 0.00 O ATOM 558 CB ALA A 36 -1.037 8.403 -2.359 1.00 0.00 C ATOM 0 H ALA A 36 0.168 9.838 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 36 1.019 8.659 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.385 8.350 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.874 7.395 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.788 8.905 -1.748 1.00 0.00 H new ATOM 564 N PRO A 37 0.425 10.739 -4.197 1.00 0.00 N ATOM 565 CA PRO A 37 0.290 12.021 -4.891 1.00 0.00 C ATOM 566 C PRO A 37 -1.149 12.305 -5.305 1.00 0.00 C ATOM 567 O PRO A 37 -1.953 11.386 -5.461 1.00 0.00 O ATOM 568 CB PRO A 37 1.174 11.839 -6.123 1.00 0.00 C ATOM 569 CG PRO A 37 1.109 10.380 -6.415 1.00 0.00 C ATOM 570 CD PRO A 37 0.970 9.689 -5.082 1.00 0.00 C ATOM 0 HA PRO A 37 0.575 12.864 -4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.809 12.429 -6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.197 12.160 -5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.263 10.150 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.008 10.047 -6.934 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.301 8.831 -5.144 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.930 9.319 -4.721 1.00 0.00 H new ATOM 578 N LYS A 38 -1.469 13.583 -5.481 1.00 0.00 N ATOM 579 CA LYS A 38 -2.814 13.985 -5.876 1.00 0.00 C ATOM 580 C LYS A 38 -3.007 13.885 -7.390 1.00 0.00 C ATOM 581 O LYS A 38 -4.059 14.254 -7.912 1.00 0.00 O ATOM 582 CB LYS A 38 -3.095 15.415 -5.409 1.00 0.00 C ATOM 583 CG LYS A 38 -4.470 15.592 -4.786 1.00 0.00 C ATOM 584 CD LYS A 38 -4.790 17.059 -4.550 1.00 0.00 C ATOM 585 CE LYS A 38 -4.299 17.525 -3.189 1.00 0.00 C ATOM 586 NZ LYS A 38 -5.278 18.430 -2.526 1.00 0.00 N ATOM 0 H LYS A 38 -0.816 14.357 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.518 13.303 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.336 15.707 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.000 16.091 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.225 15.154 -5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.514 15.052 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.328 17.663 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.867 17.214 -4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.116 16.659 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.347 18.042 -3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.906 18.726 -1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.433 19.269 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.179 17.928 -2.393 1.00 0.00 H new ATOM 600 N GLU A 39 -1.991 13.390 -8.094 1.00 0.00 N ATOM 601 CA GLU A 39 -2.064 13.252 -9.544 1.00 0.00 C ATOM 602 C GLU A 39 -2.716 11.929 -9.938 1.00 0.00 C ATOM 603 O GLU A 39 -3.460 11.862 -10.916 1.00 0.00 O ATOM 604 CB GLU A 39 -0.667 13.347 -10.158 1.00 0.00 C ATOM 605 CG GLU A 39 -0.673 13.765 -11.620 1.00 0.00 C ATOM 606 CD GLU A 39 0.682 13.598 -12.279 1.00 0.00 C ATOM 607 OE1 GLU A 39 1.102 12.440 -12.487 1.00 0.00 O ATOM 608 OE2 GLU A 39 1.322 14.624 -12.589 1.00 0.00 O ATOM 0 H GLU A 39 -1.110 13.079 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.679 14.066 -9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.076 14.062 -9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.172 12.380 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.411 13.173 -12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.984 14.807 -11.695 1.00 0.00 H new ATOM 615 N VAL A 40 -2.433 10.879 -9.172 1.00 0.00 N ATOM 616 CA VAL A 40 -2.997 9.562 -9.449 1.00 0.00 C ATOM 617 C VAL A 40 -4.316 9.364 -8.708 1.00 0.00 C ATOM 618 O VAL A 40 -4.469 9.795 -7.565 1.00 0.00 O ATOM 619 CB VAL A 40 -2.021 8.433 -9.061 1.00 0.00 C ATOM 620 CG1 VAL A 40 -2.495 7.103 -9.625 1.00 0.00 C ATOM 621 CG2 VAL A 40 -0.613 8.753 -9.542 1.00 0.00 C ATOM 0 H VAL A 40 -1.819 10.914 -8.358 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.177 9.515 -10.523 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.998 8.355 -7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.795 6.317 -9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.482 6.870 -9.226 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.548 7.167 -10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.061 7.944 -9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.615 8.861 -10.627 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.275 9.684 -9.086 1.00 0.00 H new ATOM 631 N SER A 41 -5.268 8.714 -9.371 1.00 0.00 N ATOM 632 CA SER A 41 -6.578 8.463 -8.780 1.00 0.00 C ATOM 633 C SER A 41 -6.457 7.654 -7.493 1.00 0.00 C ATOM 634 O SER A 41 -6.202 6.450 -7.526 1.00 0.00 O ATOM 635 CB SER A 41 -7.475 7.724 -9.776 1.00 0.00 C ATOM 636 OG SER A 41 -8.845 7.953 -9.496 1.00 0.00 O ATOM 0 H SER A 41 -5.157 8.352 -10.318 1.00 0.00 H new ATOM 0 HA SER A 41 -7.026 9.427 -8.537 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.248 8.054 -10.790 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.266 6.655 -9.735 1.00 0.00 H new ATOM 0 HG SER A 41 -9.397 7.472 -10.147 1.00 0.00 H new ATOM 642 N VAL A 42 -6.645 8.323 -6.360 1.00 0.00 N ATOM 643 CA VAL A 42 -6.563 7.666 -5.061 1.00 0.00 C ATOM 644 C VAL A 42 -7.865 7.834 -4.279 1.00 0.00 C ATOM 645 O VAL A 42 -8.305 8.955 -4.028 1.00 0.00 O ATOM 646 CB VAL A 42 -5.395 8.225 -4.224 1.00 0.00 C ATOM 647 CG1 VAL A 42 -5.594 9.706 -3.941 1.00 0.00 C ATOM 648 CG2 VAL A 42 -5.241 7.441 -2.929 1.00 0.00 C ATOM 0 H VAL A 42 -6.855 9.320 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.390 6.606 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.477 8.113 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.758 10.079 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.645 10.253 -4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.522 9.849 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.412 7.850 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.160 7.516 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.041 6.394 -3.159 1.00 0.00 H new ATOM 658 N HIS A 43 -8.477 6.717 -3.894 1.00 0.00 N ATOM 659 CA HIS A 43 -9.725 6.752 -3.141 1.00 0.00 C ATOM 660 C HIS A 43 -9.618 5.897 -1.882 1.00 0.00 C ATOM 661 O HIS A 43 -9.096 4.782 -1.923 1.00 0.00 O ATOM 662 CB HIS A 43 -10.885 6.260 -4.009 1.00 0.00 C ATOM 663 CG HIS A 43 -12.153 7.029 -3.806 1.00 0.00 C ATOM 664 ND1 HIS A 43 -12.756 7.766 -4.803 1.00 0.00 N ATOM 665 CD2 HIS A 43 -12.937 7.174 -2.710 1.00 0.00 C ATOM 666 CE1 HIS A 43 -13.853 8.331 -4.333 1.00 0.00 C ATOM 667 NE2 HIS A 43 -13.986 7.987 -3.065 1.00 0.00 N ATOM 0 H HIS A 43 -8.129 5.779 -4.091 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.916 7.784 -2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.595 6.323 -5.058 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.069 5.208 -3.792 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.769 6.733 -1.739 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -14.526 8.966 -4.890 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -14.745 8.278 -2.449 1.00 0.00 H new ATOM 675 N ARG A 44 -10.113 6.421 -0.765 1.00 0.00 N ATOM 676 CA ARG A 44 -10.069 5.699 0.500 1.00 0.00 C ATOM 677 C ARG A 44 -11.186 6.166 1.429 1.00 0.00 C ATOM 678 O ARG A 44 -10.930 6.650 2.532 1.00 0.00 O ATOM 679 CB ARG A 44 -8.709 5.893 1.174 1.00 0.00 C ATOM 680 CG ARG A 44 -8.448 4.915 2.309 1.00 0.00 C ATOM 681 CD ARG A 44 -7.836 5.605 3.519 1.00 0.00 C ATOM 682 NE ARG A 44 -6.464 5.165 3.764 1.00 0.00 N ATOM 683 CZ ARG A 44 -5.407 5.624 3.098 1.00 0.00 C ATOM 684 NH1 ARG A 44 -5.558 6.535 2.145 1.00 0.00 N ATOM 685 NH2 ARG A 44 -4.195 5.170 3.385 1.00 0.00 N ATOM 0 H ARG A 44 -10.548 7.342 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.214 4.639 0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.923 5.787 0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.646 6.910 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.383 4.436 2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.779 4.127 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.849 6.684 3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.445 5.401 4.400 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.307 4.464 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.488 6.888 1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.744 6.883 1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.073 4.469 4.116 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.385 5.521 2.875 1.00 0.00 H new ATOM 699 N GLU A 45 -12.427 6.019 0.974 1.00 0.00 N ATOM 700 CA GLU A 45 -13.585 6.427 1.762 1.00 0.00 C ATOM 701 C GLU A 45 -13.586 7.936 1.990 1.00 0.00 C ATOM 702 O GLU A 45 -12.550 8.529 2.293 1.00 0.00 O ATOM 703 CB GLU A 45 -13.602 5.691 3.104 1.00 0.00 C ATOM 704 CG GLU A 45 -14.889 4.923 3.360 1.00 0.00 C ATOM 705 CD GLU A 45 -14.661 3.431 3.504 1.00 0.00 C ATOM 706 OE1 GLU A 45 -14.380 2.771 2.481 1.00 0.00 O ATOM 707 OE2 GLU A 45 -14.762 2.922 4.640 1.00 0.00 O ATOM 0 H GLU A 45 -12.656 5.620 0.064 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.484 6.165 1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.762 4.998 3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.454 6.413 3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.360 5.304 4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.584 5.103 2.540 1.00 0.00 H new ATOM 714 N GLU A 46 -14.757 8.549 1.846 1.00 0.00 N ATOM 715 CA GLU A 46 -14.894 9.988 2.039 1.00 0.00 C ATOM 716 C GLU A 46 -14.621 10.369 3.490 1.00 0.00 C ATOM 717 O GLU A 46 -13.960 11.368 3.765 1.00 0.00 O ATOM 718 CB GLU A 46 -16.296 10.446 1.635 1.00 0.00 C ATOM 719 CG GLU A 46 -16.748 9.907 0.288 1.00 0.00 C ATOM 720 CD GLU A 46 -18.046 10.531 -0.185 1.00 0.00 C ATOM 721 OE1 GLU A 46 -19.046 10.457 0.561 1.00 0.00 O ATOM 722 OE2 GLU A 46 -18.064 11.093 -1.300 1.00 0.00 O ATOM 0 H GLU A 46 -15.623 8.072 1.597 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.160 10.487 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.006 10.131 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -16.319 11.535 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.970 10.092 -0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.873 8.826 0.357 1.00 0.00 H new ATOM 729 N ILE A 47 -15.138 9.565 4.413 1.00 0.00 N ATOM 730 CA ILE A 47 -14.951 9.818 5.836 1.00 0.00 C ATOM 731 C ILE A 47 -13.491 9.639 6.239 1.00 0.00 C ATOM 732 O ILE A 47 -12.884 10.535 6.823 1.00 0.00 O ATOM 733 CB ILE A 47 -15.826 8.883 6.694 1.00 0.00 C ATOM 734 CG1 ILE A 47 -17.277 8.920 6.210 1.00 0.00 C ATOM 735 CG2 ILE A 47 -15.743 9.277 8.161 1.00 0.00 C ATOM 736 CD1 ILE A 47 -17.887 10.304 6.233 1.00 0.00 C ATOM 0 H ILE A 47 -15.689 8.733 4.201 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.252 10.850 6.015 1.00 0.00 H new ATOM 0 HB ILE A 47 -15.453 7.864 6.589 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.322 8.529 5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -17.877 8.257 6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.366 8.607 8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -14.709 9.205 8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -16.094 10.302 8.283 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -18.916 10.254 5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -17.874 10.691 7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -17.311 10.966 5.586 1.00 0.00 H new ATOM 748 N TYR A 48 -12.933 8.473 5.928 1.00 0.00 N ATOM 749 CA TYR A 48 -11.543 8.171 6.263 1.00 0.00 C ATOM 750 C TYR A 48 -10.612 9.320 5.877 1.00 0.00 C ATOM 751 O TYR A 48 -9.719 9.687 6.639 1.00 0.00 O ATOM 752 CB TYR A 48 -11.099 6.885 5.563 1.00 0.00 C ATOM 753 CG TYR A 48 -11.303 5.639 6.395 1.00 0.00 C ATOM 754 CD1 TYR A 48 -10.368 5.256 7.348 1.00 0.00 C ATOM 755 CD2 TYR A 48 -12.431 4.845 6.227 1.00 0.00 C ATOM 756 CE1 TYR A 48 -10.550 4.118 8.110 1.00 0.00 C ATOM 757 CE2 TYR A 48 -12.620 3.705 6.985 1.00 0.00 C ATOM 758 CZ TYR A 48 -11.677 3.346 7.925 1.00 0.00 C ATOM 759 OH TYR A 48 -11.862 2.211 8.681 1.00 0.00 O ATOM 0 H TYR A 48 -13.422 7.720 5.444 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.483 8.035 7.343 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.650 6.782 4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.044 6.969 5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.484 5.858 7.496 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -13.172 5.123 5.492 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.813 3.835 8.847 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.502 3.098 6.842 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.741 1.826 8.484 1.00 0.00 H new ATOM 769 N GLN A 49 -10.822 9.880 4.690 1.00 0.00 N ATOM 770 CA GLN A 49 -9.994 10.982 4.208 1.00 0.00 C ATOM 771 C GLN A 49 -10.399 12.306 4.854 1.00 0.00 C ATOM 772 O GLN A 49 -9.568 13.002 5.439 1.00 0.00 O ATOM 773 CB GLN A 49 -10.100 11.094 2.686 1.00 0.00 C ATOM 774 CG GLN A 49 -8.786 11.446 2.008 1.00 0.00 C ATOM 775 CD GLN A 49 -8.953 12.489 0.920 1.00 0.00 C ATOM 776 OE1 GLN A 49 -9.474 13.578 1.163 1.00 0.00 O ATOM 777 NE2 GLN A 49 -8.510 12.161 -0.288 1.00 0.00 N ATOM 0 H GLN A 49 -11.557 9.590 4.045 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.961 10.770 4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.464 10.148 2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.842 11.852 2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.083 11.815 2.755 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.350 10.544 1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.085 11.247 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.595 12.823 -1.059 1.00 0.00 H new ATOM 786 N ARG A 50 -11.677 12.650 4.731 1.00 0.00 N ATOM 787 CA ARG A 50 -12.205 13.897 5.286 1.00 0.00 C ATOM 788 C ARG A 50 -11.962 14.015 6.793 1.00 0.00 C ATOM 789 O ARG A 50 -12.135 15.090 7.367 1.00 0.00 O ATOM 790 CB ARG A 50 -13.703 14.005 4.997 1.00 0.00 C ATOM 791 CG ARG A 50 -14.029 14.146 3.519 1.00 0.00 C ATOM 792 CD ARG A 50 -13.668 15.528 2.998 1.00 0.00 C ATOM 793 NE ARG A 50 -14.016 15.691 1.588 1.00 0.00 N ATOM 794 CZ ARG A 50 -13.286 15.211 0.584 1.00 0.00 C ATOM 795 NH1 ARG A 50 -12.168 14.538 0.830 1.00 0.00 N ATOM 796 NH2 ARG A 50 -13.674 15.404 -0.669 1.00 0.00 N ATOM 0 H ARG A 50 -12.372 12.080 4.249 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.671 14.715 4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.205 13.120 5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.107 14.864 5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.487 13.389 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.092 13.962 3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.185 16.284 3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.599 15.697 3.129 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.868 16.203 1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.865 14.387 1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.612 14.172 0.057 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.532 15.920 -0.863 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.115 15.036 -1.439 1.00 0.00 H new ATOM 810 N ILE A 51 -11.570 12.917 7.433 1.00 0.00 N ATOM 811 CA ILE A 51 -11.318 12.923 8.870 1.00 0.00 C ATOM 812 C ILE A 51 -9.823 12.831 9.170 1.00 0.00 C ATOM 813 O ILE A 51 -9.262 13.697 9.841 1.00 0.00 O ATOM 814 CB ILE A 51 -12.051 11.760 9.573 1.00 0.00 C ATOM 815 CG1 ILE A 51 -13.559 11.860 9.327 1.00 0.00 C ATOM 816 CG2 ILE A 51 -11.750 11.756 11.068 1.00 0.00 C ATOM 817 CD1 ILE A 51 -14.211 13.040 10.016 1.00 0.00 C ATOM 0 H ILE A 51 -11.420 12.015 6.981 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.701 13.868 9.255 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.691 10.821 9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.739 11.932 8.254 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.036 10.942 9.670 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.277 10.928 11.543 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.677 11.640 11.223 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.080 12.697 11.508 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.279 13.045 9.796 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.063 12.960 11.093 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.762 13.965 9.656 1.00 0.00 H new ATOM 829 N GLN A 52 -9.184 11.778 8.671 1.00 0.00 N ATOM 830 CA GLN A 52 -7.755 11.581 8.892 1.00 0.00 C ATOM 831 C GLN A 52 -6.936 12.567 8.066 1.00 0.00 C ATOM 832 O GLN A 52 -6.150 13.342 8.610 1.00 0.00 O ATOM 833 CB GLN A 52 -7.352 10.147 8.548 1.00 0.00 C ATOM 834 CG GLN A 52 -7.865 9.117 9.541 1.00 0.00 C ATOM 835 CD GLN A 52 -8.180 7.785 8.889 1.00 0.00 C ATOM 836 OE1 GLN A 52 -8.168 7.663 7.664 1.00 0.00 O ATOM 837 NE2 GLN A 52 -8.465 6.779 9.708 1.00 0.00 N ATOM 0 H GLN A 52 -9.630 11.050 8.113 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.550 11.761 9.947 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.728 9.901 7.555 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.265 10.085 8.502 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.119 8.968 10.322 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.762 9.501 10.026 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.463 6.927 10.717 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.686 5.859 9.328 1.00 0.00 H new ATOM 846 N ALA A 53 -7.124 12.535 6.750 1.00 0.00 N ATOM 847 CA ALA A 53 -6.402 13.429 5.857 1.00 0.00 C ATOM 848 C ALA A 53 -6.834 14.874 6.071 1.00 0.00 C ATOM 849 O ALA A 53 -6.028 15.798 5.962 1.00 0.00 O ATOM 850 CB ALA A 53 -6.619 13.018 4.409 1.00 0.00 C ATOM 0 H ALA A 53 -7.770 11.900 6.281 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.339 13.355 6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.073 13.696 3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.258 12.000 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.682 13.063 4.173 1.00 0.00 H new ATOM 856 N GLU A 54 -8.112 15.059 6.381 1.00 0.00 N ATOM 857 CA GLU A 54 -8.657 16.390 6.617 1.00 0.00 C ATOM 858 C GLU A 54 -9.234 16.493 8.025 1.00 0.00 C ATOM 859 O GLU A 54 -10.018 15.646 8.453 1.00 0.00 O ATOM 860 CB GLU A 54 -9.730 16.718 5.576 1.00 0.00 C ATOM 861 CG GLU A 54 -9.218 17.571 4.426 1.00 0.00 C ATOM 862 CD GLU A 54 -9.885 17.233 3.107 1.00 0.00 C ATOM 863 OE1 GLU A 54 -11.028 17.684 2.887 1.00 0.00 O ATOM 864 OE2 GLU A 54 -9.263 16.517 2.294 1.00 0.00 O ATOM 0 H GLU A 54 -8.790 14.303 6.475 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.848 17.114 6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.134 15.788 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.553 17.238 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.387 18.623 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.141 17.435 4.329 1.00 0.00 H new ATOM 871 N LYS A 55 -8.823 17.532 8.745 1.00 0.00 N ATOM 872 CA LYS A 55 -9.272 17.759 10.108 1.00 0.00 C ATOM 873 C LYS A 55 -10.792 17.673 10.224 1.00 0.00 C ATOM 874 O LYS A 55 -11.510 18.560 9.762 1.00 0.00 O ATOM 875 CB LYS A 55 -8.788 19.124 10.604 1.00 0.00 C ATOM 876 CG LYS A 55 -7.548 19.047 11.480 1.00 0.00 C ATOM 877 CD LYS A 55 -7.622 20.025 12.642 1.00 0.00 C ATOM 878 CE LYS A 55 -7.953 19.319 13.947 1.00 0.00 C ATOM 879 NZ LYS A 55 -9.242 18.578 13.866 1.00 0.00 N ATOM 0 H LYS A 55 -8.172 18.236 8.399 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.844 16.973 10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.577 19.760 9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.590 19.603 11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.435 18.033 11.864 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.664 19.261 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.670 20.546 12.741 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.379 20.781 12.434 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.151 18.625 14.198 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.005 20.051 14.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.499 18.225 14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.988 19.215 13.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.141 17.776 13.212 1.00 0.00 H new ATOM 983 N MET B 1 -0.104 12.023 2.088 1.00 0.00 N ATOM 984 CA MET B 1 0.171 12.103 3.546 1.00 0.00 C ATOM 985 C MET B 1 -1.055 11.699 4.361 1.00 0.00 C ATOM 986 O MET B 1 -1.590 12.494 5.133 1.00 0.00 O ATOM 987 CB MET B 1 0.584 13.537 3.885 1.00 0.00 C ATOM 988 CG MET B 1 -0.500 14.564 3.603 1.00 0.00 C ATOM 989 SD MET B 1 -0.204 15.490 2.084 1.00 0.00 S ATOM 990 CE MET B 1 0.680 16.911 2.722 1.00 0.00 C ATOM 0 H1 MET B 1 0.605 11.412 1.634 1.00 0.00 H new ATOM 0 H2 MET B 1 -1.053 11.626 1.935 1.00 0.00 H new ATOM 0 H3 MET B 1 -0.056 12.975 1.673 1.00 0.00 H new ATOM 0 HA MET B 1 0.974 11.411 3.799 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.856 13.588 4.939 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.475 13.795 3.313 1.00 0.00 H new ATOM 0 HG2 MET B 1 -1.464 14.059 3.534 1.00 0.00 H new ATOM 0 HG3 MET B 1 -0.563 15.259 4.441 1.00 0.00 H new ATOM 0 HE1 MET B 1 0.934 17.581 1.900 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.051 17.439 3.439 1.00 0.00 H new ATOM 0 HE3 MET B 1 1.594 16.580 3.216 1.00 0.00 H new ATOM 1002 N LEU B 2 -1.494 10.457 4.183 1.00 0.00 N ATOM 1003 CA LEU B 2 -2.657 9.948 4.903 1.00 0.00 C ATOM 1004 C LEU B 2 -2.263 8.795 5.820 1.00 0.00 C ATOM 1005 O LEU B 2 -2.008 7.683 5.357 1.00 0.00 O ATOM 1006 CB LEU B 2 -3.730 9.486 3.915 1.00 0.00 C ATOM 1007 CG LEU B 2 -4.787 10.536 3.567 1.00 0.00 C ATOM 1008 CD1 LEU B 2 -4.356 11.343 2.352 1.00 0.00 C ATOM 1009 CD2 LEU B 2 -6.135 9.873 3.321 1.00 0.00 C ATOM 0 H LEU B 2 -1.063 9.785 3.548 1.00 0.00 H new ATOM 0 HA LEU B 2 -3.060 10.755 5.515 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -3.241 9.166 2.995 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -4.232 8.612 4.330 1.00 0.00 H new ATOM 0 HG LEU B 2 -4.889 11.217 4.412 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -5.120 12.085 2.119 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -3.413 11.847 2.566 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -4.226 10.676 1.500 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -6.875 10.634 3.075 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -6.049 9.169 2.493 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -6.448 9.340 4.219 1.00 0.00 H new ATOM 1021 N ILE B 3 -2.212 9.064 7.121 1.00 0.00 N ATOM 1022 CA ILE B 3 -1.845 8.040 8.089 1.00 0.00 C ATOM 1023 C ILE B 3 -3.056 7.200 8.488 1.00 0.00 C ATOM 1024 O ILE B 3 -3.955 7.667 9.186 1.00 0.00 O ATOM 1025 CB ILE B 3 -1.177 8.652 9.344 1.00 0.00 C ATOM 1026 CG1 ILE B 3 -0.509 7.560 10.183 1.00 0.00 C ATOM 1027 CG2 ILE B 3 -2.183 9.429 10.180 1.00 0.00 C ATOM 1028 CD1 ILE B 3 0.783 8.008 10.838 1.00 0.00 C ATOM 0 H ILE B 3 -2.419 9.977 7.526 1.00 0.00 H new ATOM 0 HA ILE B 3 -1.117 7.389 7.605 1.00 0.00 H new ATOM 0 HB ILE B 3 -0.410 9.351 9.009 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -1.204 7.230 10.955 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -0.306 6.698 9.548 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -1.684 9.847 11.054 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.606 10.237 9.583 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -2.981 8.761 10.503 1.00 0.00 H new ATOM 0 HD11 ILE B 3 1.202 7.185 11.417 1.00 0.00 H new ATOM 0 HD12 ILE B 3 1.495 8.311 10.070 1.00 0.00 H new ATOM 0 HD13 ILE B 3 0.582 8.851 11.499 1.00 0.00 H new ATOM 1040 N LEU B 4 -3.064 5.953 8.030 1.00 0.00 N ATOM 1041 CA LEU B 4 -4.151 5.027 8.321 1.00 0.00 C ATOM 1042 C LEU B 4 -3.653 3.895 9.210 1.00 0.00 C ATOM 1043 O LEU B 4 -2.462 3.595 9.232 1.00 0.00 O ATOM 1044 CB LEU B 4 -4.729 4.458 7.023 1.00 0.00 C ATOM 1045 CG LEU B 4 -6.171 3.956 7.121 1.00 0.00 C ATOM 1046 CD1 LEU B 4 -7.147 5.061 6.750 1.00 0.00 C ATOM 1047 CD2 LEU B 4 -6.373 2.740 6.228 1.00 0.00 C ATOM 0 H LEU B 4 -2.323 5.558 7.451 1.00 0.00 H new ATOM 0 HA LEU B 4 -4.937 5.569 8.846 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -4.680 5.228 6.253 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -4.096 3.635 6.691 1.00 0.00 H new ATOM 0 HG LEU B 4 -6.364 3.661 8.152 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.168 4.686 6.825 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.019 5.903 7.430 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.955 5.388 5.728 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.404 2.396 6.310 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -6.161 3.009 5.193 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -5.699 1.943 6.541 1.00 0.00 H new ATOM 1059 N THR B 5 -4.566 3.264 9.937 1.00 0.00 N ATOM 1060 CA THR B 5 -4.196 2.163 10.816 1.00 0.00 C ATOM 1061 C THR B 5 -4.290 0.828 10.089 1.00 0.00 C ATOM 1062 O THR B 5 -5.337 0.478 9.545 1.00 0.00 O ATOM 1063 CB THR B 5 -5.080 2.139 12.060 1.00 0.00 C ATOM 1064 OG1 THR B 5 -5.754 3.374 12.225 1.00 0.00 O ATOM 1065 CG2 THR B 5 -4.301 1.863 13.325 1.00 0.00 C ATOM 0 H THR B 5 -5.560 3.493 9.936 1.00 0.00 H new ATOM 0 HA THR B 5 -3.162 2.321 11.123 1.00 0.00 H new ATOM 0 HB THR B 5 -5.791 1.329 11.901 1.00 0.00 H new ATOM 0 HG1 THR B 5 -6.316 3.335 13.027 1.00 0.00 H new ATOM 0 HG21 THR B 5 -4.981 1.858 14.177 1.00 0.00 H new ATOM 0 HG22 THR B 5 -3.811 0.893 13.246 1.00 0.00 H new ATOM 0 HG23 THR B 5 -3.549 2.639 13.466 1.00 0.00 H new ATOM 1073 N ARG B 6 -3.188 0.088 10.083 1.00 0.00 N ATOM 1074 CA ARG B 6 -3.147 -1.208 9.421 1.00 0.00 C ATOM 1075 C ARG B 6 -3.469 -2.332 10.391 1.00 0.00 C ATOM 1076 O ARG B 6 -3.167 -2.248 11.581 1.00 0.00 O ATOM 1077 CB ARG B 6 -1.779 -1.449 8.785 1.00 0.00 C ATOM 1078 CG ARG B 6 -1.711 -1.054 7.318 1.00 0.00 C ATOM 1079 CD ARG B 6 -2.140 0.389 7.103 1.00 0.00 C ATOM 1080 NE ARG B 6 -3.435 0.481 6.434 1.00 0.00 N ATOM 1081 CZ ARG B 6 -3.608 0.297 5.127 1.00 0.00 C ATOM 1082 NH1 ARG B 6 -2.573 0.013 4.346 1.00 0.00 N ATOM 1083 NH2 ARG B 6 -4.820 0.396 4.598 1.00 0.00 N ATOM 0 H ARG B 6 -2.313 0.363 10.529 1.00 0.00 H new ATOM 0 HA ARG B 6 -3.905 -1.199 8.638 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -1.026 -0.888 9.339 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -1.524 -2.504 8.881 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -0.693 -1.189 6.952 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -2.351 -1.715 6.733 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -2.192 0.899 8.065 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -1.387 0.906 6.508 1.00 0.00 H new ATOM 0 HE ARG B 6 -4.254 0.699 7.001 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -1.638 -0.065 4.747 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -2.712 -0.127 3.345 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -5.620 0.613 5.193 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -4.952 0.255 3.597 1.00 0.00 H new ATOM 1097 N ARG B 7 -4.087 -3.385 9.863 1.00 0.00 N ATOM 1098 CA ARG B 7 -4.465 -4.550 10.657 1.00 0.00 C ATOM 1099 C ARG B 7 -5.794 -4.305 11.360 1.00 0.00 C ATOM 1100 O ARG B 7 -5.833 -3.786 12.475 1.00 0.00 O ATOM 1101 CB ARG B 7 -3.370 -4.884 11.674 1.00 0.00 C ATOM 1102 CG ARG B 7 -3.052 -6.370 11.770 1.00 0.00 C ATOM 1103 CD ARG B 7 -2.814 -6.786 13.213 1.00 0.00 C ATOM 1104 NE ARG B 7 -1.821 -5.937 13.867 1.00 0.00 N ATOM 1105 CZ ARG B 7 -1.192 -6.263 14.994 1.00 0.00 C ATOM 1106 NH1 ARG B 7 -1.456 -7.413 15.601 1.00 0.00 N ATOM 1107 NH2 ARG B 7 -0.298 -5.436 15.518 1.00 0.00 N ATOM 0 H ARG B 7 -4.339 -3.455 8.877 1.00 0.00 H new ATOM 0 HA ARG B 7 -4.582 -5.402 9.988 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -2.462 -4.344 11.406 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -3.677 -4.524 12.656 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -3.876 -6.949 11.352 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -2.169 -6.595 11.173 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -3.753 -6.738 13.765 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -2.480 -7.823 13.242 1.00 0.00 H new ATOM 0 HE ARG B 7 -1.596 -5.041 13.434 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -2.144 -8.053 15.204 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -0.971 -7.657 16.464 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -0.092 -4.549 15.058 1.00 0.00 H new ATOM 0 HH22 ARG B 7 0.184 -5.686 16.382 1.00 0.00 H new ATOM 1121 N VAL B 8 -6.882 -4.670 10.682 1.00 0.00 N ATOM 1122 CA VAL B 8 -8.234 -4.487 11.207 1.00 0.00 C ATOM 1123 C VAL B 8 -8.734 -3.076 10.918 1.00 0.00 C ATOM 1124 O VAL B 8 -9.015 -2.301 11.834 1.00 0.00 O ATOM 1125 CB VAL B 8 -8.319 -4.757 12.726 1.00 0.00 C ATOM 1126 CG1 VAL B 8 -9.771 -4.889 13.162 1.00 0.00 C ATOM 1127 CG2 VAL B 8 -7.526 -6.004 13.097 1.00 0.00 C ATOM 0 H VAL B 8 -6.851 -5.099 9.757 1.00 0.00 H new ATOM 0 HA VAL B 8 -8.866 -5.216 10.700 1.00 0.00 H new ATOM 0 HB VAL B 8 -7.880 -3.909 13.252 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -9.813 -5.079 14.234 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -10.304 -3.966 12.936 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -10.237 -5.717 12.628 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -7.599 -6.176 14.171 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -7.930 -6.864 12.564 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -6.480 -5.865 12.822 1.00 0.00 H new ATOM 1137 N GLY B 9 -8.843 -2.748 9.633 1.00 0.00 N ATOM 1138 CA GLY B 9 -9.307 -1.433 9.235 1.00 0.00 C ATOM 1139 C GLY B 9 -9.977 -1.444 7.874 1.00 0.00 C ATOM 1140 O GLY B 9 -10.620 -2.426 7.501 1.00 0.00 O ATOM 0 H GLY B 9 -8.617 -3.373 8.859 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -10.009 -1.058 9.980 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -8.463 -0.743 9.216 1.00 0.00 H new ATOM 1144 N GLU B 10 -9.831 -0.351 7.131 1.00 0.00 N ATOM 1145 CA GLU B 10 -10.432 -0.242 5.805 1.00 0.00 C ATOM 1146 C GLU B 10 -9.367 -0.191 4.712 1.00 0.00 C ATOM 1147 O GLU B 10 -8.549 0.728 4.670 1.00 0.00 O ATOM 1148 CB GLU B 10 -11.316 1.004 5.727 1.00 0.00 C ATOM 1149 CG GLU B 10 -12.389 0.921 4.654 1.00 0.00 C ATOM 1150 CD GLU B 10 -13.560 0.051 5.066 1.00 0.00 C ATOM 1151 OE1 GLU B 10 -13.466 -1.185 4.908 1.00 0.00 O ATOM 1152 OE2 GLU B 10 -14.571 0.604 5.549 1.00 0.00 O ATOM 0 H GLU B 10 -9.303 0.471 7.424 1.00 0.00 H new ATOM 0 HA GLU B 10 -11.042 -1.130 5.642 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -11.793 1.163 6.694 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -10.688 1.874 5.535 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -12.749 1.925 4.427 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -11.951 0.525 3.738 1.00 0.00 H new ATOM 1159 N THR B 11 -9.388 -1.185 3.826 1.00 0.00 N ATOM 1160 CA THR B 11 -8.431 -1.258 2.724 1.00 0.00 C ATOM 1161 C THR B 11 -8.398 0.053 1.940 1.00 0.00 C ATOM 1162 O THR B 11 -9.400 0.764 1.861 1.00 0.00 O ATOM 1163 CB THR B 11 -8.794 -2.411 1.787 1.00 0.00 C ATOM 1164 OG1 THR B 11 -9.934 -2.087 1.011 1.00 0.00 O ATOM 1165 CG2 THR B 11 -9.089 -3.704 2.517 1.00 0.00 C ATOM 0 H THR B 11 -10.059 -1.953 3.850 1.00 0.00 H new ATOM 0 HA THR B 11 -7.442 -1.433 3.146 1.00 0.00 H new ATOM 0 HB THR B 11 -7.917 -2.559 1.157 1.00 0.00 H new ATOM 0 HG1 THR B 11 -10.149 -2.836 0.417 1.00 0.00 H new ATOM 0 HG21 THR B 11 -9.339 -4.481 1.794 1.00 0.00 H new ATOM 0 HG22 THR B 11 -8.211 -4.008 3.087 1.00 0.00 H new ATOM 0 HG23 THR B 11 -9.929 -3.555 3.195 1.00 0.00 H new ATOM 1173 N LEU B 12 -7.242 0.367 1.362 1.00 0.00 N ATOM 1174 CA LEU B 12 -7.084 1.593 0.584 1.00 0.00 C ATOM 1175 C LEU B 12 -6.916 1.278 -0.900 1.00 0.00 C ATOM 1176 O LEU B 12 -6.459 0.195 -1.264 1.00 0.00 O ATOM 1177 CB LEU B 12 -5.890 2.411 1.106 1.00 0.00 C ATOM 1178 CG LEU B 12 -4.538 2.140 0.430 1.00 0.00 C ATOM 1179 CD1 LEU B 12 -3.733 3.424 0.309 1.00 0.00 C ATOM 1180 CD2 LEU B 12 -3.755 1.092 1.202 1.00 0.00 C ATOM 0 H LEU B 12 -6.402 -0.209 1.417 1.00 0.00 H new ATOM 0 HA LEU B 12 -7.988 2.191 0.701 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -6.124 3.470 0.993 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.784 2.220 2.174 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.728 1.758 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -2.779 3.211 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -4.288 4.146 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -3.554 3.836 1.302 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.800 0.914 0.707 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.577 1.446 2.218 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.325 0.164 1.236 1.00 0.00 H new ATOM 1192 N MET B 13 -7.281 2.231 -1.753 1.00 0.00 N ATOM 1193 CA MET B 13 -7.159 2.044 -3.193 1.00 0.00 C ATOM 1194 C MET B 13 -6.387 3.194 -3.826 1.00 0.00 C ATOM 1195 O MET B 13 -6.935 4.271 -4.062 1.00 0.00 O ATOM 1196 CB MET B 13 -8.543 1.933 -3.835 1.00 0.00 C ATOM 1197 CG MET B 13 -8.502 1.543 -5.304 1.00 0.00 C ATOM 1198 SD MET B 13 -9.722 2.430 -6.294 1.00 0.00 S ATOM 1199 CE MET B 13 -11.237 1.961 -5.463 1.00 0.00 C ATOM 0 H MET B 13 -7.661 3.135 -1.473 1.00 0.00 H new ATOM 0 HA MET B 13 -6.610 1.119 -3.367 1.00 0.00 H new ATOM 0 HB2 MET B 13 -9.130 1.195 -3.288 1.00 0.00 H new ATOM 0 HB3 MET B 13 -9.058 2.888 -3.735 1.00 0.00 H new ATOM 0 HG2 MET B 13 -7.506 1.740 -5.700 1.00 0.00 H new ATOM 0 HG3 MET B 13 -8.675 0.471 -5.396 1.00 0.00 H new ATOM 0 HE1 MET B 13 -12.092 2.297 -6.049 1.00 0.00 H new ATOM 0 HE2 MET B 13 -11.273 0.877 -5.357 1.00 0.00 H new ATOM 0 HE3 MET B 13 -11.269 2.423 -4.476 1.00 0.00 H new ATOM 1209 N ILE B 14 -5.111 2.955 -4.099 1.00 0.00 N ATOM 1210 CA ILE B 14 -4.256 3.960 -4.704 1.00 0.00 C ATOM 1211 C ILE B 14 -3.866 3.559 -6.127 1.00 0.00 C ATOM 1212 O ILE B 14 -3.405 2.443 -6.364 1.00 0.00 O ATOM 1213 CB ILE B 14 -2.987 4.184 -3.856 1.00 0.00 C ATOM 1214 CG1 ILE B 14 -2.018 5.141 -4.557 1.00 0.00 C ATOM 1215 CG2 ILE B 14 -2.307 2.857 -3.558 1.00 0.00 C ATOM 1216 CD1 ILE B 14 -2.642 6.465 -4.933 1.00 0.00 C ATOM 0 H ILE B 14 -4.646 2.067 -3.909 1.00 0.00 H new ATOM 0 HA ILE B 14 -4.819 4.892 -4.745 1.00 0.00 H new ATOM 0 HB ILE B 14 -3.286 4.641 -2.913 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.164 5.323 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -1.634 4.661 -5.457 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.413 3.033 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -2.992 2.213 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.027 2.373 -4.494 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -1.898 7.091 -5.425 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -3.478 6.294 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -3.001 6.966 -4.034 1.00 0.00 H new ATOM 1228 N GLY B 15 -4.057 4.476 -7.070 1.00 0.00 N ATOM 1229 CA GLY B 15 -3.727 4.200 -8.457 1.00 0.00 C ATOM 1230 C GLY B 15 -4.886 4.495 -9.391 1.00 0.00 C ATOM 1231 O GLY B 15 -5.160 5.654 -9.704 1.00 0.00 O ATOM 0 H GLY B 15 -4.435 5.408 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -2.865 4.799 -8.750 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.438 3.154 -8.559 1.00 0.00 H new ATOM 1235 N ASP B 16 -5.570 3.444 -9.833 1.00 0.00 N ATOM 1236 CA ASP B 16 -6.711 3.600 -10.734 1.00 0.00 C ATOM 1237 C ASP B 16 -7.539 2.314 -10.839 1.00 0.00 C ATOM 1238 O ASP B 16 -8.444 2.225 -11.667 1.00 0.00 O ATOM 1239 CB ASP B 16 -6.229 4.017 -12.125 1.00 0.00 C ATOM 1240 CG ASP B 16 -5.263 3.015 -12.726 1.00 0.00 C ATOM 1241 OD1 ASP B 16 -5.560 1.803 -12.680 1.00 0.00 O ATOM 1242 OD2 ASP B 16 -4.210 3.443 -13.243 1.00 0.00 O ATOM 0 H ASP B 16 -5.357 2.478 -9.584 1.00 0.00 H new ATOM 0 HA ASP B 16 -7.352 4.377 -10.317 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -7.089 4.130 -12.786 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -5.745 4.992 -12.062 1.00 0.00 H new ATOM 1247 N GLU B 17 -7.230 1.328 -9.993 1.00 0.00 N ATOM 1248 CA GLU B 17 -7.941 0.048 -9.981 1.00 0.00 C ATOM 1249 C GLU B 17 -7.165 -0.965 -9.143 1.00 0.00 C ATOM 1250 O GLU B 17 -6.779 -2.027 -9.631 1.00 0.00 O ATOM 1251 CB GLU B 17 -8.130 -0.497 -11.403 1.00 0.00 C ATOM 1252 CG GLU B 17 -8.989 -1.749 -11.467 1.00 0.00 C ATOM 1253 CD GLU B 17 -10.412 -1.503 -11.003 1.00 0.00 C ATOM 1254 OE1 GLU B 17 -10.964 -0.430 -11.324 1.00 0.00 O ATOM 1255 OE2 GLU B 17 -10.974 -2.385 -10.319 1.00 0.00 O ATOM 0 H GLU B 17 -6.484 1.394 -9.301 1.00 0.00 H new ATOM 0 HA GLU B 17 -8.926 0.212 -9.544 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -8.584 0.277 -12.022 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -7.152 -0.715 -11.832 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -9.004 -2.123 -12.491 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -8.539 -2.526 -10.850 1.00 0.00 H new ATOM 1262 N VAL B 18 -6.920 -0.618 -7.884 1.00 0.00 N ATOM 1263 CA VAL B 18 -6.174 -1.477 -6.988 1.00 0.00 C ATOM 1264 C VAL B 18 -7.041 -1.976 -5.828 1.00 0.00 C ATOM 1265 O VAL B 18 -8.269 -1.997 -5.920 1.00 0.00 O ATOM 1266 CB VAL B 18 -4.945 -0.726 -6.440 1.00 0.00 C ATOM 1267 CG1 VAL B 18 -4.163 -0.085 -7.577 1.00 0.00 C ATOM 1268 CG2 VAL B 18 -5.350 0.321 -5.406 1.00 0.00 C ATOM 0 H VAL B 18 -7.231 0.258 -7.465 1.00 0.00 H new ATOM 0 HA VAL B 18 -5.847 -2.347 -7.558 1.00 0.00 H new ATOM 0 HB VAL B 18 -4.302 -1.452 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -3.298 0.441 -7.173 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.827 -0.858 -8.268 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -4.803 0.621 -8.106 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -4.460 0.833 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -6.022 1.046 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -5.857 -0.167 -4.574 1.00 0.00 H new ATOM 1278 N THR B 19 -6.386 -2.371 -4.738 1.00 0.00 N ATOM 1279 CA THR B 19 -7.067 -2.867 -3.548 1.00 0.00 C ATOM 1280 C THR B 19 -6.038 -3.406 -2.562 1.00 0.00 C ATOM 1281 O THR B 19 -5.542 -4.520 -2.718 1.00 0.00 O ATOM 1282 CB THR B 19 -8.073 -3.963 -3.913 1.00 0.00 C ATOM 1283 OG1 THR B 19 -7.762 -4.531 -5.173 1.00 0.00 O ATOM 1284 CG2 THR B 19 -9.502 -3.470 -3.973 1.00 0.00 C ATOM 0 H THR B 19 -5.369 -2.356 -4.657 1.00 0.00 H new ATOM 0 HA THR B 19 -7.615 -2.044 -3.088 1.00 0.00 H new ATOM 0 HB THR B 19 -7.994 -4.702 -3.116 1.00 0.00 H new ATOM 0 HG1 THR B 19 -8.415 -5.229 -5.387 1.00 0.00 H new ATOM 0 HG21 THR B 19 -10.161 -4.297 -4.237 1.00 0.00 H new ATOM 0 HG22 THR B 19 -9.791 -3.072 -3.000 1.00 0.00 H new ATOM 0 HG23 THR B 19 -9.585 -2.686 -4.725 1.00 0.00 H new ATOM 1292 N VAL B 20 -5.703 -2.606 -1.558 1.00 0.00 N ATOM 1293 CA VAL B 20 -4.713 -3.011 -0.569 1.00 0.00 C ATOM 1294 C VAL B 20 -5.364 -3.445 0.741 1.00 0.00 C ATOM 1295 O VAL B 20 -5.787 -2.610 1.542 1.00 0.00 O ATOM 1296 CB VAL B 20 -3.721 -1.870 -0.274 1.00 0.00 C ATOM 1297 CG1 VAL B 20 -2.574 -2.364 0.594 1.00 0.00 C ATOM 1298 CG2 VAL B 20 -3.197 -1.266 -1.568 1.00 0.00 C ATOM 0 H VAL B 20 -6.100 -1.678 -1.407 1.00 0.00 H new ATOM 0 HA VAL B 20 -4.179 -3.859 -0.998 1.00 0.00 H new ATOM 0 HB VAL B 20 -4.251 -1.091 0.275 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -1.886 -1.542 0.790 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -2.968 -2.740 1.538 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -2.045 -3.165 0.077 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -2.498 -0.462 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -2.687 -2.035 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -4.030 -0.868 -2.147 1.00 0.00 H new ATOM 1308 N THR B 21 -5.427 -4.756 0.956 1.00 0.00 N ATOM 1309 CA THR B 21 -6.008 -5.306 2.176 1.00 0.00 C ATOM 1310 C THR B 21 -4.948 -5.399 3.270 1.00 0.00 C ATOM 1311 O THR B 21 -3.771 -5.624 2.987 1.00 0.00 O ATOM 1312 CB THR B 21 -6.607 -6.688 1.905 1.00 0.00 C ATOM 1313 OG1 THR B 21 -7.537 -6.631 0.839 1.00 0.00 O ATOM 1314 CG2 THR B 21 -7.318 -7.276 3.104 1.00 0.00 C ATOM 0 H THR B 21 -5.082 -5.457 0.300 1.00 0.00 H new ATOM 0 HA THR B 21 -6.803 -4.641 2.512 1.00 0.00 H new ATOM 0 HB THR B 21 -5.760 -7.327 1.655 1.00 0.00 H new ATOM 0 HG1 THR B 21 -7.907 -7.524 0.680 1.00 0.00 H new ATOM 0 HG21 THR B 21 -7.719 -8.256 2.845 1.00 0.00 H new ATOM 0 HG22 THR B 21 -6.614 -7.379 3.930 1.00 0.00 H new ATOM 0 HG23 THR B 21 -8.134 -6.617 3.403 1.00 0.00 H new ATOM 1322 N VAL B 22 -5.368 -5.213 4.516 1.00 0.00 N ATOM 1323 CA VAL B 22 -4.445 -5.265 5.645 1.00 0.00 C ATOM 1324 C VAL B 22 -4.661 -6.505 6.515 1.00 0.00 C ATOM 1325 O VAL B 22 -5.251 -6.425 7.592 1.00 0.00 O ATOM 1326 CB VAL B 22 -4.569 -4.000 6.513 1.00 0.00 C ATOM 1327 CG1 VAL B 22 -4.273 -2.759 5.685 1.00 0.00 C ATOM 1328 CG2 VAL B 22 -5.953 -3.906 7.142 1.00 0.00 C ATOM 0 H VAL B 22 -6.338 -5.025 4.770 1.00 0.00 H new ATOM 0 HA VAL B 22 -3.441 -5.320 5.223 1.00 0.00 H new ATOM 0 HB VAL B 22 -3.836 -4.065 7.317 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.365 -1.873 6.313 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.260 -2.819 5.288 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -4.982 -2.694 4.860 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -6.016 -3.004 7.750 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.708 -3.867 6.357 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -6.127 -4.780 7.770 1.00 0.00 H new ATOM 1338 N LEU B 23 -4.183 -7.652 6.043 1.00 0.00 N ATOM 1339 CA LEU B 23 -4.334 -8.899 6.788 1.00 0.00 C ATOM 1340 C LEU B 23 -3.047 -9.255 7.545 1.00 0.00 C ATOM 1341 O LEU B 23 -2.290 -8.367 7.937 1.00 0.00 O ATOM 1342 CB LEU B 23 -4.742 -10.034 5.839 1.00 0.00 C ATOM 1343 CG LEU B 23 -5.496 -11.215 6.479 1.00 0.00 C ATOM 1344 CD1 LEU B 23 -5.856 -10.936 7.940 1.00 0.00 C ATOM 1345 CD2 LEU B 23 -6.750 -11.537 5.679 1.00 0.00 C ATOM 0 H LEU B 23 -3.691 -7.745 5.154 1.00 0.00 H new ATOM 0 HA LEU B 23 -5.122 -8.762 7.529 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.367 -9.614 5.051 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -3.842 -10.421 5.360 1.00 0.00 H new ATOM 0 HG LEU B 23 -4.830 -12.077 6.463 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -6.387 -11.793 8.354 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -4.945 -10.762 8.512 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -6.493 -10.054 7.996 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -7.273 -12.374 6.143 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -7.404 -10.665 5.661 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -6.473 -11.803 4.659 1.00 0.00 H new ATOM 1357 N GLY B 24 -2.805 -10.554 7.759 1.00 0.00 N ATOM 1358 CA GLY B 24 -1.618 -10.986 8.476 1.00 0.00 C ATOM 1359 C GLY B 24 -1.525 -10.363 9.850 1.00 0.00 C ATOM 1360 O GLY B 24 -0.718 -9.461 10.075 1.00 0.00 O ATOM 0 H GLY B 24 -3.413 -11.311 7.446 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -1.627 -12.072 8.571 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -0.731 -10.724 7.899 1.00 0.00 H new ATOM 1364 N VAL B 25 -2.360 -10.832 10.769 1.00 0.00 N ATOM 1365 CA VAL B 25 -2.371 -10.298 12.116 1.00 0.00 C ATOM 1366 C VAL B 25 -1.336 -10.985 13.001 1.00 0.00 C ATOM 1367 O VAL B 25 -1.502 -12.141 13.391 1.00 0.00 O ATOM 1368 CB VAL B 25 -3.764 -10.450 12.755 1.00 0.00 C ATOM 1369 CG1 VAL B 25 -3.823 -9.740 14.099 1.00 0.00 C ATOM 1370 CG2 VAL B 25 -4.842 -9.924 11.816 1.00 0.00 C ATOM 0 H VAL B 25 -3.035 -11.579 10.602 1.00 0.00 H new ATOM 0 HA VAL B 25 -2.119 -9.240 12.040 1.00 0.00 H new ATOM 0 HB VAL B 25 -3.948 -11.510 12.927 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -4.816 -9.861 14.531 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -3.080 -10.170 14.771 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -3.615 -8.679 13.960 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -5.820 -10.039 12.284 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -4.661 -8.869 11.609 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -4.818 -10.487 10.883 1.00 0.00 H new ATOM 1380 N LYS B 26 -0.266 -10.260 13.309 1.00 0.00 N ATOM 1381 CA LYS B 26 0.807 -10.788 14.143 1.00 0.00 C ATOM 1382 C LYS B 26 1.269 -9.746 15.157 1.00 0.00 C ATOM 1383 O LYS B 26 1.318 -8.553 14.859 1.00 0.00 O ATOM 1384 CB LYS B 26 1.984 -11.232 13.273 1.00 0.00 C ATOM 1385 CG LYS B 26 2.025 -12.732 13.023 1.00 0.00 C ATOM 1386 CD LYS B 26 2.483 -13.050 11.609 1.00 0.00 C ATOM 1387 CE LYS B 26 3.495 -14.185 11.591 1.00 0.00 C ATOM 1388 NZ LYS B 26 3.288 -15.096 10.432 1.00 0.00 N ATOM 0 H LYS B 26 -0.119 -9.302 12.992 1.00 0.00 H new ATOM 0 HA LYS B 26 0.423 -11.651 14.687 1.00 0.00 H new ATOM 0 HB2 LYS B 26 1.933 -10.714 12.315 1.00 0.00 H new ATOM 0 HB3 LYS B 26 2.914 -10.926 13.752 1.00 0.00 H new ATOM 0 HG2 LYS B 26 2.699 -13.203 13.739 1.00 0.00 H new ATOM 0 HG3 LYS B 26 1.035 -13.157 13.190 1.00 0.00 H new ATOM 0 HD2 LYS B 26 1.621 -13.320 10.999 1.00 0.00 H new ATOM 0 HD3 LYS B 26 2.925 -12.160 11.160 1.00 0.00 H new ATOM 0 HE2 LYS B 26 4.503 -13.772 11.552 1.00 0.00 H new ATOM 0 HE3 LYS B 26 3.419 -14.754 12.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 3.480 -16.076 10.722 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 2.305 -15.019 10.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 3.934 -14.830 9.662 1.00 0.00 H new ATOM 1402 N GLY B 27 1.599 -10.206 16.360 1.00 0.00 N ATOM 1403 CA GLY B 27 2.044 -9.307 17.411 1.00 0.00 C ATOM 1404 C GLY B 27 3.120 -8.336 16.959 1.00 0.00 C ATOM 1405 O GLY B 27 3.065 -7.151 17.286 1.00 0.00 O ATOM 0 H GLY B 27 1.566 -11.190 16.627 1.00 0.00 H new ATOM 0 HA2 GLY B 27 1.189 -8.743 17.782 1.00 0.00 H new ATOM 0 HA3 GLY B 27 2.424 -9.896 18.246 1.00 0.00 H new ATOM 1409 N ASN B 28 4.107 -8.832 16.217 1.00 0.00 N ATOM 1410 CA ASN B 28 5.196 -7.986 15.742 1.00 0.00 C ATOM 1411 C ASN B 28 5.045 -7.661 14.255 1.00 0.00 C ATOM 1412 O ASN B 28 4.489 -6.624 13.894 1.00 0.00 O ATOM 1413 CB ASN B 28 6.544 -8.663 16.002 1.00 0.00 C ATOM 1414 CG ASN B 28 6.891 -8.714 17.477 1.00 0.00 C ATOM 1415 OD1 ASN B 28 7.592 -7.843 17.993 1.00 0.00 O ATOM 1416 ND2 ASN B 28 6.399 -9.738 18.165 1.00 0.00 N ATOM 0 H ASN B 28 4.174 -9.810 15.934 1.00 0.00 H new ATOM 0 HA ASN B 28 5.155 -7.047 16.294 1.00 0.00 H new ATOM 0 HB2 ASN B 28 6.521 -9.677 15.602 1.00 0.00 H new ATOM 0 HB3 ASN B 28 7.326 -8.126 15.466 1.00 0.00 H new ATOM 0 HD21 ASN B 28 6.598 -9.825 19.162 1.00 0.00 H new ATOM 0 HD22 ASN B 28 5.822 -10.437 17.697 1.00 0.00 H new ATOM 1423 N GLN B 29 5.551 -8.543 13.395 1.00 0.00 N ATOM 1424 CA GLN B 29 5.477 -8.335 11.953 1.00 0.00 C ATOM 1425 C GLN B 29 4.146 -8.827 11.392 1.00 0.00 C ATOM 1426 O GLN B 29 3.839 -10.017 11.451 1.00 0.00 O ATOM 1427 CB GLN B 29 6.637 -9.057 11.261 1.00 0.00 C ATOM 1428 CG GLN B 29 7.761 -8.129 10.831 1.00 0.00 C ATOM 1429 CD GLN B 29 8.801 -8.830 9.979 1.00 0.00 C ATOM 1430 OE1 GLN B 29 8.487 -9.759 9.235 1.00 0.00 O ATOM 1431 NE2 GLN B 29 10.049 -8.387 10.084 1.00 0.00 N ATOM 0 H GLN B 29 6.016 -9.407 13.673 1.00 0.00 H new ATOM 0 HA GLN B 29 5.550 -7.265 11.760 1.00 0.00 H new ATOM 0 HB2 GLN B 29 7.039 -9.812 11.937 1.00 0.00 H new ATOM 0 HB3 GLN B 29 6.256 -9.583 10.385 1.00 0.00 H new ATOM 0 HG2 GLN B 29 7.343 -7.292 10.272 1.00 0.00 H new ATOM 0 HG3 GLN B 29 8.242 -7.712 11.716 1.00 0.00 H new ATOM 0 HE21 GLN B 29 10.264 -7.614 10.714 1.00 0.00 H new ATOM 0 HE22 GLN B 29 10.792 -8.820 9.535 1.00 0.00 H new ATOM 1440 N VAL B 30 3.356 -7.901 10.856 1.00 0.00 N ATOM 1441 CA VAL B 30 2.054 -8.241 10.294 1.00 0.00 C ATOM 1442 C VAL B 30 2.153 -8.499 8.796 1.00 0.00 C ATOM 1443 O VAL B 30 2.810 -7.751 8.072 1.00 0.00 O ATOM 1444 CB VAL B 30 1.025 -7.122 10.544 1.00 0.00 C ATOM 1445 CG1 VAL B 30 0.746 -6.974 12.032 1.00 0.00 C ATOM 1446 CG2 VAL B 30 1.510 -5.808 9.951 1.00 0.00 C ATOM 0 H VAL B 30 3.595 -6.911 10.799 1.00 0.00 H new ATOM 0 HA VAL B 30 1.721 -9.150 10.795 1.00 0.00 H new ATOM 0 HB VAL B 30 0.093 -7.395 10.050 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.017 -6.179 12.188 1.00 0.00 H new ATOM 0 HG12 VAL B 30 0.350 -7.911 12.423 1.00 0.00 H new ATOM 0 HG13 VAL B 30 1.671 -6.726 12.553 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.770 -5.030 10.137 1.00 0.00 H new ATOM 0 HG22 VAL B 30 2.456 -5.527 10.413 1.00 0.00 H new ATOM 0 HG23 VAL B 30 1.652 -5.924 8.876 1.00 0.00 H new ATOM 1456 N ARG B 31 1.485 -9.552 8.328 1.00 0.00 N ATOM 1457 CA ARG B 31 1.491 -9.886 6.920 1.00 0.00 C ATOM 1458 C ARG B 31 0.369 -9.148 6.203 1.00 0.00 C ATOM 1459 O ARG B 31 -0.786 -9.563 6.239 1.00 0.00 O ATOM 1460 CB ARG B 31 1.340 -11.397 6.727 1.00 0.00 C ATOM 1461 CG ARG B 31 2.659 -12.117 6.502 1.00 0.00 C ATOM 1462 CD ARG B 31 2.445 -13.598 6.232 1.00 0.00 C ATOM 1463 NE ARG B 31 3.421 -14.429 6.933 1.00 0.00 N ATOM 1464 CZ ARG B 31 4.665 -14.635 6.505 1.00 0.00 C ATOM 1465 NH1 ARG B 31 5.089 -14.068 5.382 1.00 0.00 N ATOM 1466 NH2 ARG B 31 5.486 -15.408 7.202 1.00 0.00 N ATOM 0 H ARG B 31 0.935 -10.184 8.910 1.00 0.00 H new ATOM 0 HA ARG B 31 2.445 -9.577 6.493 1.00 0.00 H new ATOM 0 HB2 ARG B 31 0.850 -11.820 7.604 1.00 0.00 H new ATOM 0 HB3 ARG B 31 0.685 -11.582 5.876 1.00 0.00 H new ATOM 0 HG2 ARG B 31 3.183 -11.664 5.660 1.00 0.00 H new ATOM 0 HG3 ARG B 31 3.296 -11.994 7.378 1.00 0.00 H new ATOM 0 HD2 ARG B 31 1.439 -13.881 6.542 1.00 0.00 H new ATOM 0 HD3 ARG B 31 2.513 -13.785 5.160 1.00 0.00 H new ATOM 0 HE ARG B 31 3.132 -14.878 7.802 1.00 0.00 H new ATOM 0 HH11 ARG B 31 4.461 -13.472 4.843 1.00 0.00 H new ATOM 0 HH12 ARG B 31 6.043 -14.229 5.058 1.00 0.00 H new ATOM 0 HH21 ARG B 31 5.165 -15.845 8.066 1.00 0.00 H new ATOM 0 HH22 ARG B 31 6.439 -15.566 6.874 1.00 0.00 H new ATOM 1480 N ILE B 32 0.715 -8.051 5.555 1.00 0.00 N ATOM 1481 CA ILE B 32 -0.266 -7.251 4.840 1.00 0.00 C ATOM 1482 C ILE B 32 -0.358 -7.668 3.377 1.00 0.00 C ATOM 1483 O ILE B 32 0.651 -7.992 2.749 1.00 0.00 O ATOM 1484 CB ILE B 32 0.072 -5.753 4.945 1.00 0.00 C ATOM 1485 CG1 ILE B 32 0.353 -5.388 6.408 1.00 0.00 C ATOM 1486 CG2 ILE B 32 -1.064 -4.908 4.387 1.00 0.00 C ATOM 1487 CD1 ILE B 32 -0.773 -5.756 7.351 1.00 0.00 C ATOM 0 H ILE B 32 1.669 -7.692 5.508 1.00 0.00 H new ATOM 0 HA ILE B 32 -1.236 -7.425 5.305 1.00 0.00 H new ATOM 0 HB ILE B 32 0.964 -5.548 4.354 1.00 0.00 H new ATOM 0 HG12 ILE B 32 1.265 -5.891 6.731 1.00 0.00 H new ATOM 0 HG13 ILE B 32 0.538 -4.316 6.477 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -0.807 -3.852 4.470 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -1.225 -5.161 3.339 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.975 -5.105 4.952 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.505 -5.469 8.368 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -1.682 -5.233 7.054 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.944 -6.832 7.311 1.00 0.00 H new ATOM 1499 N GLY B 33 -1.575 -7.666 2.841 1.00 0.00 N ATOM 1500 CA GLY B 33 -1.779 -8.055 1.459 1.00 0.00 C ATOM 1501 C GLY B 33 -2.069 -6.876 0.557 1.00 0.00 C ATOM 1502 O GLY B 33 -3.147 -6.289 0.623 1.00 0.00 O ATOM 0 H GLY B 33 -2.424 -7.401 3.341 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -0.891 -8.574 1.097 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -2.607 -8.762 1.403 1.00 0.00 H new ATOM 1506 N VAL B 34 -1.109 -6.530 -0.291 1.00 0.00 N ATOM 1507 CA VAL B 34 -1.278 -5.414 -1.209 1.00 0.00 C ATOM 1508 C VAL B 34 -1.665 -5.902 -2.600 1.00 0.00 C ATOM 1509 O VAL B 34 -0.825 -6.400 -3.351 1.00 0.00 O ATOM 1510 CB VAL B 34 0.007 -4.569 -1.314 1.00 0.00 C ATOM 1511 CG1 VAL B 34 -0.238 -3.323 -2.151 1.00 0.00 C ATOM 1512 CG2 VAL B 34 0.519 -4.199 0.071 1.00 0.00 C ATOM 0 H VAL B 34 -0.209 -7.005 -0.361 1.00 0.00 H new ATOM 0 HA VAL B 34 -2.079 -4.794 -0.806 1.00 0.00 H new ATOM 0 HB VAL B 34 0.772 -5.166 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL B 34 0.681 -2.740 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -0.552 -3.614 -3.154 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -1.019 -2.721 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL B 34 1.427 -3.603 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -0.241 -3.622 0.598 1.00 0.00 H new ATOM 0 HG23 VAL B 34 0.739 -5.107 0.632 1.00 0.00 H new ATOM 1522 N ASN B 35 -2.943 -5.759 -2.937 1.00 0.00 N ATOM 1523 CA ASN B 35 -3.434 -6.190 -4.239 1.00 0.00 C ATOM 1524 C ASN B 35 -3.347 -5.051 -5.249 1.00 0.00 C ATOM 1525 O ASN B 35 -4.117 -4.092 -5.195 1.00 0.00 O ATOM 1526 CB ASN B 35 -4.876 -6.690 -4.132 1.00 0.00 C ATOM 1527 CG ASN B 35 -5.123 -7.928 -4.973 1.00 0.00 C ATOM 1528 OD1 ASN B 35 -4.290 -8.945 -4.788 1.00 0.00 O flip ATOM 1529 ND2 ASN B 35 -6.052 -7.969 -5.779 1.00 0.00 N flip ATOM 0 H ASN B 35 -3.653 -5.350 -2.330 1.00 0.00 H new ATOM 0 HA ASN B 35 -2.805 -7.011 -4.584 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -5.105 -6.911 -3.089 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.556 -5.899 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -6.668 -7.163 -5.889 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -6.206 -8.809 -6.337 1.00 0.00 H new ATOM 1536 N ALA B 36 -2.395 -5.172 -6.164 1.00 0.00 N ATOM 1537 CA ALA B 36 -2.184 -4.161 -7.193 1.00 0.00 C ATOM 1538 C ALA B 36 -2.220 -4.776 -8.590 1.00 0.00 C ATOM 1539 O ALA B 36 -1.718 -5.879 -8.805 1.00 0.00 O ATOM 1540 CB ALA B 36 -0.860 -3.447 -6.965 1.00 0.00 C ATOM 0 H ALA B 36 -1.754 -5.963 -6.215 1.00 0.00 H new ATOM 0 HA ALA B 36 -2.995 -3.436 -7.124 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.714 -2.695 -7.740 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -0.871 -2.964 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -0.045 -4.170 -7.004 1.00 0.00 H new ATOM 1546 N PRO B 37 -2.818 -4.066 -9.565 1.00 0.00 N ATOM 1547 CA PRO B 37 -2.916 -4.545 -10.944 1.00 0.00 C ATOM 1548 C PRO B 37 -1.608 -4.374 -11.708 1.00 0.00 C ATOM 1549 O PRO B 37 -0.783 -3.528 -11.364 1.00 0.00 O ATOM 1550 CB PRO B 37 -4.004 -3.656 -11.541 1.00 0.00 C ATOM 1551 CG PRO B 37 -3.888 -2.374 -10.792 1.00 0.00 C ATOM 1552 CD PRO B 37 -3.444 -2.738 -9.398 1.00 0.00 C ATOM 0 HA PRO B 37 -3.137 -5.611 -10.996 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -3.853 -3.507 -12.610 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -4.992 -4.100 -11.418 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -3.168 -1.709 -11.268 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -4.842 -1.848 -10.771 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -2.738 -2.010 -9.000 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -4.286 -2.776 -8.707 1.00 0.00 H new ATOM 1560 N LYS B 38 -1.423 -5.182 -12.747 1.00 0.00 N ATOM 1561 CA LYS B 38 -0.213 -5.117 -13.559 1.00 0.00 C ATOM 1562 C LYS B 38 -0.308 -4.020 -14.621 1.00 0.00 C ATOM 1563 O LYS B 38 0.594 -3.867 -15.443 1.00 0.00 O ATOM 1564 CB LYS B 38 0.045 -6.468 -14.229 1.00 0.00 C ATOM 1565 CG LYS B 38 1.497 -6.912 -14.162 1.00 0.00 C ATOM 1566 CD LYS B 38 1.747 -8.134 -15.031 1.00 0.00 C ATOM 1567 CE LYS B 38 1.494 -9.423 -14.266 1.00 0.00 C ATOM 1568 NZ LYS B 38 2.512 -10.464 -14.578 1.00 0.00 N ATOM 0 H LYS B 38 -2.095 -5.889 -13.046 1.00 0.00 H new ATOM 0 HA LYS B 38 0.619 -4.875 -12.897 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -0.580 -7.225 -13.755 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -0.261 -6.411 -15.274 1.00 0.00 H new ATOM 0 HG2 LYS B 38 2.143 -6.096 -14.485 1.00 0.00 H new ATOM 0 HG3 LYS B 38 1.762 -7.138 -13.129 1.00 0.00 H new ATOM 0 HD2 LYS B 38 1.100 -8.097 -15.907 1.00 0.00 H new ATOM 0 HD3 LYS B 38 2.775 -8.120 -15.393 1.00 0.00 H new ATOM 0 HE2 LYS B 38 1.502 -9.217 -13.196 1.00 0.00 H new ATOM 0 HE3 LYS B 38 0.501 -9.801 -14.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 2.304 -11.327 -14.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 2.488 -10.680 -15.595 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 3.457 -10.114 -14.321 1.00 0.00 H new ATOM 1582 N GLU B 39 -1.402 -3.259 -14.603 1.00 0.00 N ATOM 1583 CA GLU B 39 -1.597 -2.185 -15.571 1.00 0.00 C ATOM 1584 C GLU B 39 -0.936 -0.894 -15.099 1.00 0.00 C ATOM 1585 O GLU B 39 -0.389 -0.138 -15.902 1.00 0.00 O ATOM 1586 CB GLU B 39 -3.090 -1.950 -15.808 1.00 0.00 C ATOM 1587 CG GLU B 39 -3.397 -1.288 -17.141 1.00 0.00 C ATOM 1588 CD GLU B 39 -4.837 -0.825 -17.244 1.00 0.00 C ATOM 1589 OE1 GLU B 39 -5.202 0.141 -16.542 1.00 0.00 O ATOM 1590 OE2 GLU B 39 -5.600 -1.430 -18.027 1.00 0.00 O ATOM 0 H GLU B 39 -2.162 -3.367 -13.932 1.00 0.00 H new ATOM 0 HA GLU B 39 -1.129 -2.487 -16.508 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -3.612 -2.905 -15.757 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -3.484 -1.328 -15.004 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -2.734 -0.434 -17.280 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.186 -1.990 -17.948 1.00 0.00 H new ATOM 1597 N VAL B 40 -0.989 -0.644 -13.794 1.00 0.00 N ATOM 1598 CA VAL B 40 -0.393 0.559 -13.224 1.00 0.00 C ATOM 1599 C VAL B 40 1.055 0.311 -12.812 1.00 0.00 C ATOM 1600 O VAL B 40 1.392 -0.758 -12.305 1.00 0.00 O ATOM 1601 CB VAL B 40 -1.189 1.066 -12.004 1.00 0.00 C ATOM 1602 CG1 VAL B 40 -0.735 2.465 -11.617 1.00 0.00 C ATOM 1603 CG2 VAL B 40 -2.683 1.044 -12.294 1.00 0.00 C ATOM 0 H VAL B 40 -1.437 -1.257 -13.113 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.421 1.323 -14.001 1.00 0.00 H new ATOM 0 HB VAL B 40 -0.996 0.399 -11.164 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -1.307 2.808 -10.755 1.00 0.00 H new ATOM 0 HG12 VAL B 40 0.325 2.447 -11.365 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -0.898 3.145 -12.453 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -3.228 1.405 -11.422 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -2.897 1.687 -13.148 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -2.995 0.024 -12.520 1.00 0.00 H new ATOM 1613 N SER B 41 1.907 1.306 -13.040 1.00 0.00 N ATOM 1614 CA SER B 41 3.322 1.197 -12.699 1.00 0.00 C ATOM 1615 C SER B 41 3.511 0.932 -11.209 1.00 0.00 C ATOM 1616 O SER B 41 3.345 1.828 -10.383 1.00 0.00 O ATOM 1617 CB SER B 41 4.063 2.475 -13.097 1.00 0.00 C ATOM 1618 OG SER B 41 5.440 2.221 -13.311 1.00 0.00 O ATOM 0 H SER B 41 1.642 2.197 -13.460 1.00 0.00 H new ATOM 0 HA SER B 41 3.736 0.354 -13.252 1.00 0.00 H new ATOM 0 HB2 SER B 41 3.621 2.888 -14.004 1.00 0.00 H new ATOM 0 HB3 SER B 41 3.946 3.225 -12.315 1.00 0.00 H new ATOM 0 HG SER B 41 5.890 3.053 -13.566 1.00 0.00 H new ATOM 1624 N VAL B 42 3.864 -0.306 -10.874 1.00 0.00 N ATOM 1625 CA VAL B 42 4.081 -0.689 -9.485 1.00 0.00 C ATOM 1626 C VAL B 42 5.493 -1.237 -9.283 1.00 0.00 C ATOM 1627 O VAL B 42 5.889 -2.205 -9.934 1.00 0.00 O ATOM 1628 CB VAL B 42 3.058 -1.748 -9.029 1.00 0.00 C ATOM 1629 CG1 VAL B 42 3.198 -3.022 -9.849 1.00 0.00 C ATOM 1630 CG2 VAL B 42 3.215 -2.041 -7.544 1.00 0.00 C ATOM 0 H VAL B 42 4.005 -1.060 -11.546 1.00 0.00 H new ATOM 0 HA VAL B 42 3.953 0.210 -8.882 1.00 0.00 H new ATOM 0 HB VAL B 42 2.057 -1.349 -9.193 1.00 0.00 H new ATOM 0 HG11 VAL B 42 2.466 -3.755 -9.510 1.00 0.00 H new ATOM 0 HG12 VAL B 42 3.026 -2.798 -10.902 1.00 0.00 H new ATOM 0 HG13 VAL B 42 4.202 -3.427 -9.724 1.00 0.00 H new ATOM 0 HG21 VAL B 42 2.484 -2.791 -7.242 1.00 0.00 H new ATOM 0 HG22 VAL B 42 4.220 -2.416 -7.351 1.00 0.00 H new ATOM 0 HG23 VAL B 42 3.054 -1.126 -6.974 1.00 0.00 H new ATOM 1640 N HIS B 43 6.250 -0.619 -8.380 1.00 0.00 N ATOM 1641 CA HIS B 43 7.614 -1.053 -8.100 1.00 0.00 C ATOM 1642 C HIS B 43 7.814 -1.264 -6.603 1.00 0.00 C ATOM 1643 O HIS B 43 7.379 -0.449 -5.789 1.00 0.00 O ATOM 1644 CB HIS B 43 8.618 -0.024 -8.622 1.00 0.00 C ATOM 1645 CG HIS B 43 9.841 -0.635 -9.231 1.00 0.00 C ATOM 1646 ND1 HIS B 43 10.184 -0.473 -10.557 1.00 0.00 N ATOM 1647 CD2 HIS B 43 10.807 -1.414 -8.688 1.00 0.00 C ATOM 1648 CE1 HIS B 43 11.306 -1.124 -10.804 1.00 0.00 C ATOM 1649 NE2 HIS B 43 11.705 -1.703 -9.687 1.00 0.00 N ATOM 0 H HIS B 43 5.941 0.183 -7.831 1.00 0.00 H new ATOM 0 HA HIS B 43 7.782 -2.001 -8.611 1.00 0.00 H new ATOM 0 HB2 HIS B 43 8.128 0.605 -9.365 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.918 0.627 -7.801 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.861 -1.746 -7.662 1.00 0.00 H new ATOM 0 HE1 HIS B 43 11.811 -1.174 -11.757 1.00 0.00 H new ATOM 0 HE2 HIS B 43 12.544 -2.273 -9.582 1.00 0.00 H new ATOM 1657 N ARG B 44 8.475 -2.360 -6.242 1.00 0.00 N ATOM 1658 CA ARG B 44 8.729 -2.670 -4.840 1.00 0.00 C ATOM 1659 C ARG B 44 9.966 -3.553 -4.697 1.00 0.00 C ATOM 1660 O ARG B 44 9.892 -4.666 -4.175 1.00 0.00 O ATOM 1661 CB ARG B 44 7.514 -3.366 -4.222 1.00 0.00 C ATOM 1662 CG ARG B 44 7.549 -3.414 -2.702 1.00 0.00 C ATOM 1663 CD ARG B 44 7.131 -4.778 -2.173 1.00 0.00 C ATOM 1664 NE ARG B 44 5.869 -4.718 -1.439 1.00 0.00 N ATOM 1665 CZ ARG B 44 4.672 -4.693 -2.021 1.00 0.00 C ATOM 1666 NH1 ARG B 44 4.569 -4.723 -3.344 1.00 0.00 N ATOM 1667 NH2 ARG B 44 3.575 -4.637 -1.278 1.00 0.00 N ATOM 0 H ARG B 44 8.844 -3.047 -6.900 1.00 0.00 H new ATOM 0 HA ARG B 44 8.909 -1.734 -4.311 1.00 0.00 H new ATOM 0 HB2 ARG B 44 6.609 -2.849 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG B 44 7.453 -4.383 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG B 44 8.555 -3.181 -2.353 1.00 0.00 H new ATOM 0 HG3 ARG B 44 6.887 -2.648 -2.298 1.00 0.00 H new ATOM 0 HD2 ARG B 44 7.033 -5.475 -3.005 1.00 0.00 H new ATOM 0 HD3 ARG B 44 7.912 -5.168 -1.520 1.00 0.00 H new ATOM 0 HE ARG B 44 5.907 -4.694 -0.420 1.00 0.00 H new ATOM 0 HH11 ARG B 44 5.410 -4.765 -3.920 1.00 0.00 H new ATOM 0 HH12 ARG B 44 3.649 -4.704 -3.784 1.00 0.00 H new ATOM 0 HH21 ARG B 44 3.649 -4.613 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG B 44 2.658 -4.618 -1.724 1.00 0.00 H new ATOM 1681 N GLU B 45 11.103 -3.049 -5.166 1.00 0.00 N ATOM 1682 CA GLU B 45 12.358 -3.789 -5.092 1.00 0.00 C ATOM 1683 C GLU B 45 12.290 -5.061 -5.933 1.00 0.00 C ATOM 1684 O GLU B 45 11.290 -5.780 -5.911 1.00 0.00 O ATOM 1685 CB GLU B 45 12.688 -4.136 -3.638 1.00 0.00 C ATOM 1686 CG GLU B 45 14.053 -3.640 -3.190 1.00 0.00 C ATOM 1687 CD GLU B 45 13.968 -2.646 -2.048 1.00 0.00 C ATOM 1688 OE1 GLU B 45 13.546 -1.496 -2.292 1.00 0.00 O ATOM 1689 OE2 GLU B 45 14.324 -3.017 -0.910 1.00 0.00 O ATOM 0 H GLU B 45 11.181 -2.130 -5.602 1.00 0.00 H new ATOM 0 HA GLU B 45 13.149 -3.155 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU B 45 11.924 -3.709 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU B 45 12.644 -5.218 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU B 45 14.661 -4.491 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU B 45 14.561 -3.175 -4.035 1.00 0.00 H new ATOM 1696 N GLU B 46 13.362 -5.334 -6.670 1.00 0.00 N ATOM 1697 CA GLU B 46 13.427 -6.520 -7.515 1.00 0.00 C ATOM 1698 C GLU B 46 13.411 -7.789 -6.671 1.00 0.00 C ATOM 1699 O GLU B 46 12.742 -8.764 -7.010 1.00 0.00 O ATOM 1700 CB GLU B 46 14.687 -6.486 -8.382 1.00 0.00 C ATOM 1701 CG GLU B 46 14.910 -5.155 -9.080 1.00 0.00 C ATOM 1702 CD GLU B 46 16.043 -5.207 -10.086 1.00 0.00 C ATOM 1703 OE1 GLU B 46 17.170 -5.574 -9.692 1.00 0.00 O ATOM 1704 OE2 GLU B 46 15.804 -4.881 -11.268 1.00 0.00 O ATOM 0 H GLU B 46 14.197 -4.750 -6.699 1.00 0.00 H new ATOM 0 HA GLU B 46 12.550 -6.524 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU B 46 15.553 -6.709 -7.759 1.00 0.00 H new ATOM 0 HB3 GLU B 46 14.623 -7.274 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU B 46 13.992 -4.857 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU B 46 15.126 -4.390 -8.335 1.00 0.00 H new ATOM 1711 N ILE B 47 14.154 -7.769 -5.569 1.00 0.00 N ATOM 1712 CA ILE B 47 14.226 -8.918 -4.676 1.00 0.00 C ATOM 1713 C ILE B 47 12.888 -9.162 -3.986 1.00 0.00 C ATOM 1714 O ILE B 47 12.340 -10.261 -4.046 1.00 0.00 O ATOM 1715 CB ILE B 47 15.317 -8.730 -3.604 1.00 0.00 C ATOM 1716 CG1 ILE B 47 16.640 -8.326 -4.256 1.00 0.00 C ATOM 1717 CG2 ILE B 47 15.488 -10.005 -2.792 1.00 0.00 C ATOM 1718 CD1 ILE B 47 17.139 -9.324 -5.278 1.00 0.00 C ATOM 0 H ILE B 47 14.714 -6.969 -5.274 1.00 0.00 H new ATOM 0 HA ILE B 47 14.478 -9.782 -5.292 1.00 0.00 H new ATOM 0 HB ILE B 47 15.008 -7.932 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE B 47 16.517 -7.356 -4.737 1.00 0.00 H new ATOM 0 HG13 ILE B 47 17.396 -8.204 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE B 47 16.262 -9.856 -2.039 1.00 0.00 H new ATOM 0 HG22 ILE B 47 14.547 -10.252 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE B 47 15.778 -10.822 -3.453 1.00 0.00 H new ATOM 0 HD11 ILE B 47 18.081 -8.973 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE B 47 17.294 -10.290 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE B 47 16.402 -9.429 -6.074 1.00 0.00 H new ATOM 1730 N TYR B 48 12.369 -8.132 -3.326 1.00 0.00 N ATOM 1731 CA TYR B 48 11.096 -8.234 -2.617 1.00 0.00 C ATOM 1732 C TYR B 48 10.024 -8.899 -3.481 1.00 0.00 C ATOM 1733 O TYR B 48 9.269 -9.744 -3.004 1.00 0.00 O ATOM 1734 CB TYR B 48 10.622 -6.846 -2.179 1.00 0.00 C ATOM 1735 CG TYR B 48 11.075 -6.460 -0.789 1.00 0.00 C ATOM 1736 CD1 TYR B 48 10.371 -6.880 0.333 1.00 0.00 C ATOM 1737 CD2 TYR B 48 12.205 -5.674 -0.598 1.00 0.00 C ATOM 1738 CE1 TYR B 48 10.781 -6.529 1.605 1.00 0.00 C ATOM 1739 CE2 TYR B 48 12.621 -5.319 0.671 1.00 0.00 C ATOM 1740 CZ TYR B 48 11.906 -5.748 1.769 1.00 0.00 C ATOM 1741 OH TYR B 48 12.316 -5.396 3.034 1.00 0.00 O ATOM 0 H TYR B 48 12.811 -7.214 -3.267 1.00 0.00 H new ATOM 0 HA TYR B 48 11.256 -8.857 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR B 48 10.989 -6.105 -2.890 1.00 0.00 H new ATOM 0 HB3 TYR B 48 9.533 -6.814 -2.219 1.00 0.00 H new ATOM 0 HD1 TYR B 48 9.489 -7.491 0.209 1.00 0.00 H new ATOM 0 HD2 TYR B 48 12.767 -5.335 -1.455 1.00 0.00 H new ATOM 0 HE1 TYR B 48 10.223 -6.865 2.467 1.00 0.00 H new ATOM 0 HE2 TYR B 48 13.502 -4.708 0.802 1.00 0.00 H new ATOM 0 HH TYR B 48 13.235 -5.059 2.998 1.00 0.00 H new ATOM 1751 N GLN B 49 9.961 -8.509 -4.750 1.00 0.00 N ATOM 1752 CA GLN B 49 8.976 -9.067 -5.672 1.00 0.00 C ATOM 1753 C GLN B 49 9.398 -10.450 -6.166 1.00 0.00 C ATOM 1754 O GLN B 49 8.645 -11.418 -6.050 1.00 0.00 O ATOM 1755 CB GLN B 49 8.779 -8.128 -6.864 1.00 0.00 C ATOM 1756 CG GLN B 49 7.337 -8.036 -7.334 1.00 0.00 C ATOM 1757 CD GLN B 49 7.213 -8.074 -8.845 1.00 0.00 C ATOM 1758 OE1 GLN B 49 7.688 -9.005 -9.495 1.00 0.00 O ATOM 1759 NE2 GLN B 49 6.571 -7.059 -9.411 1.00 0.00 N ATOM 0 H GLN B 49 10.579 -7.810 -5.164 1.00 0.00 H new ATOM 0 HA GLN B 49 8.034 -9.171 -5.133 1.00 0.00 H new ATOM 0 HB2 GLN B 49 9.128 -7.132 -6.593 1.00 0.00 H new ATOM 0 HB3 GLN B 49 9.401 -8.469 -7.691 1.00 0.00 H new ATOM 0 HG2 GLN B 49 6.766 -8.859 -6.905 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.895 -7.113 -6.960 1.00 0.00 H new ATOM 0 HE21 GLN B 49 6.193 -6.308 -8.833 1.00 0.00 H new ATOM 0 HE22 GLN B 49 6.455 -7.030 -10.424 1.00 0.00 H new ATOM 1768 N ARG B 50 10.600 -10.529 -6.729 1.00 0.00 N ATOM 1769 CA ARG B 50 11.130 -11.783 -7.261 1.00 0.00 C ATOM 1770 C ARG B 50 11.173 -12.893 -6.207 1.00 0.00 C ATOM 1771 O ARG B 50 11.371 -14.060 -6.543 1.00 0.00 O ATOM 1772 CB ARG B 50 12.532 -11.560 -7.830 1.00 0.00 C ATOM 1773 CG ARG B 50 12.556 -10.656 -9.051 1.00 0.00 C ATOM 1774 CD ARG B 50 12.000 -11.362 -10.277 1.00 0.00 C ATOM 1775 NE ARG B 50 12.057 -10.519 -11.469 1.00 0.00 N ATOM 1776 CZ ARG B 50 11.185 -9.548 -11.732 1.00 0.00 C ATOM 1777 NH1 ARG B 50 10.189 -9.295 -10.893 1.00 0.00 N ATOM 1778 NH2 ARG B 50 11.310 -8.828 -12.839 1.00 0.00 N ATOM 0 H ARG B 50 11.231 -9.734 -6.830 1.00 0.00 H new ATOM 0 HA ARG B 50 10.453 -12.107 -8.052 1.00 0.00 H new ATOM 0 HB2 ARG B 50 13.165 -11.127 -7.055 1.00 0.00 H new ATOM 0 HB3 ARG B 50 12.966 -12.525 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG B 50 11.972 -9.757 -8.851 1.00 0.00 H new ATOM 0 HG3 ARG B 50 13.579 -10.335 -9.247 1.00 0.00 H new ATOM 0 HD2 ARG B 50 12.563 -12.278 -10.454 1.00 0.00 H new ATOM 0 HD3 ARG B 50 10.967 -11.654 -10.089 1.00 0.00 H new ATOM 0 HE ARG B 50 12.809 -10.684 -12.139 1.00 0.00 H new ATOM 0 HH11 ARG B 50 10.088 -9.846 -10.040 1.00 0.00 H new ATOM 0 HH12 ARG B 50 9.524 -8.550 -11.100 1.00 0.00 H new ATOM 0 HH21 ARG B 50 12.074 -9.019 -13.488 1.00 0.00 H new ATOM 0 HH22 ARG B 50 10.642 -8.084 -13.041 1.00 0.00 H new ATOM 1792 N ILE B 51 10.996 -12.533 -4.939 1.00 0.00 N ATOM 1793 CA ILE B 51 11.024 -13.514 -3.858 1.00 0.00 C ATOM 1794 C ILE B 51 9.626 -13.756 -3.294 1.00 0.00 C ATOM 1795 O ILE B 51 9.142 -14.888 -3.279 1.00 0.00 O ATOM 1796 CB ILE B 51 11.963 -13.064 -2.718 1.00 0.00 C ATOM 1797 CG1 ILE B 51 13.384 -12.862 -3.252 1.00 0.00 C ATOM 1798 CG2 ILE B 51 11.956 -14.079 -1.581 1.00 0.00 C ATOM 1799 CD1 ILE B 51 14.066 -14.149 -3.667 1.00 0.00 C ATOM 0 H ILE B 51 10.832 -11.573 -4.635 1.00 0.00 H new ATOM 0 HA ILE B 51 11.402 -14.444 -4.283 1.00 0.00 H new ATOM 0 HB ILE B 51 11.600 -12.114 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE B 51 13.349 -12.187 -4.107 1.00 0.00 H new ATOM 0 HG13 ILE B 51 13.985 -12.373 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE B 51 12.624 -13.742 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE B 51 10.945 -14.176 -1.186 1.00 0.00 H new ATOM 0 HG23 ILE B 51 12.294 -15.046 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE B 51 15.068 -13.928 -4.035 1.00 0.00 H new ATOM 0 HD12 ILE B 51 14.134 -14.818 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE B 51 13.488 -14.629 -4.457 1.00 0.00 H new ATOM 1811 N GLN B 52 8.983 -12.690 -2.829 1.00 0.00 N ATOM 1812 CA GLN B 52 7.642 -12.798 -2.264 1.00 0.00 C ATOM 1813 C GLN B 52 6.608 -13.041 -3.357 1.00 0.00 C ATOM 1814 O GLN B 52 5.886 -14.037 -3.330 1.00 0.00 O ATOM 1815 CB GLN B 52 7.287 -11.534 -1.479 1.00 0.00 C ATOM 1816 CG GLN B 52 8.057 -11.393 -0.176 1.00 0.00 C ATOM 1817 CD GLN B 52 8.339 -9.947 0.180 1.00 0.00 C ATOM 1818 OE1 GLN B 52 8.101 -9.041 -0.619 1.00 0.00 O ATOM 1819 NE2 GLN B 52 8.850 -9.724 1.386 1.00 0.00 N ATOM 0 H GLN B 52 9.367 -11.745 -2.832 1.00 0.00 H new ATOM 0 HA GLN B 52 7.632 -13.650 -1.584 1.00 0.00 H new ATOM 0 HB2 GLN B 52 7.482 -10.662 -2.103 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.219 -11.539 -1.262 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.489 -11.858 0.630 1.00 0.00 H new ATOM 0 HG3 GLN B 52 9.000 -11.935 -0.255 1.00 0.00 H new ATOM 0 HE21 GLN B 52 9.031 -10.506 2.016 1.00 0.00 H new ATOM 0 HE22 GLN B 52 9.061 -8.771 1.682 1.00 0.00 H new ATOM 1828 N ALA B 53 6.542 -12.128 -4.321 1.00 0.00 N ATOM 1829 CA ALA B 53 5.597 -12.251 -5.421 1.00 0.00 C ATOM 1830 C ALA B 53 5.954 -13.434 -6.313 1.00 0.00 C ATOM 1831 O ALA B 53 5.077 -14.106 -6.855 1.00 0.00 O ATOM 1832 CB ALA B 53 5.561 -10.966 -6.234 1.00 0.00 C ATOM 0 H ALA B 53 7.132 -11.297 -4.361 1.00 0.00 H new ATOM 0 HA ALA B 53 4.606 -12.427 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA B 53 4.850 -11.073 -7.053 1.00 0.00 H new ATOM 0 HB2 ALA B 53 5.255 -10.139 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA B 53 6.553 -10.764 -6.639 1.00 0.00 H new ATOM 1838 N GLU B 54 7.252 -13.684 -6.456 1.00 0.00 N ATOM 1839 CA GLU B 54 7.733 -14.787 -7.279 1.00 0.00 C ATOM 1840 C GLU B 54 8.585 -15.747 -6.454 1.00 0.00 C ATOM 1841 O GLU B 54 9.463 -15.325 -5.703 1.00 0.00 O ATOM 1842 CB GLU B 54 8.550 -14.252 -8.458 1.00 0.00 C ATOM 1843 CG GLU B 54 7.763 -14.160 -9.754 1.00 0.00 C ATOM 1844 CD GLU B 54 8.187 -12.982 -10.609 1.00 0.00 C ATOM 1845 OE1 GLU B 54 9.231 -13.086 -11.287 1.00 0.00 O ATOM 1846 OE2 GLU B 54 7.477 -11.955 -10.599 1.00 0.00 O ATOM 0 H GLU B 54 7.990 -13.137 -6.012 1.00 0.00 H new ATOM 0 HA GLU B 54 6.867 -15.329 -7.660 1.00 0.00 H new ATOM 0 HB2 GLU B 54 8.933 -13.263 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU B 54 9.414 -14.898 -8.613 1.00 0.00 H new ATOM 0 HG2 GLU B 54 7.894 -15.082 -10.321 1.00 0.00 H new ATOM 0 HG3 GLU B 54 6.701 -14.075 -9.525 1.00 0.00 H new ATOM 1853 N LYS B 55 8.324 -17.039 -6.602 1.00 0.00 N ATOM 1854 CA LYS B 55 9.073 -18.055 -5.873 1.00 0.00 C ATOM 1855 C LYS B 55 10.529 -18.080 -6.329 1.00 0.00 C ATOM 1856 O LYS B 55 10.850 -18.633 -7.380 1.00 0.00 O ATOM 1857 CB LYS B 55 8.435 -19.432 -6.074 1.00 0.00 C ATOM 1858 CG LYS B 55 7.697 -19.945 -4.848 1.00 0.00 C ATOM 1859 CD LYS B 55 6.574 -19.005 -4.440 1.00 0.00 C ATOM 1860 CE LYS B 55 5.400 -19.085 -5.403 1.00 0.00 C ATOM 1861 NZ LYS B 55 4.920 -17.735 -5.807 1.00 0.00 N ATOM 0 H LYS B 55 7.601 -17.408 -7.219 1.00 0.00 H new ATOM 0 HA LYS B 55 9.046 -17.805 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS B 55 7.740 -19.382 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS B 55 9.212 -20.147 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS B 55 7.288 -20.934 -5.056 1.00 0.00 H new ATOM 0 HG3 LYS B 55 8.398 -20.057 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.238 -19.254 -3.434 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.949 -17.982 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS B 55 5.696 -19.646 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS B 55 4.584 -19.636 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 4.119 -17.833 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 4.614 -17.209 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 5.691 -17.219 -6.276 1.00 0.00 H new