USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 109 THR OG1 : rot -179:sc= -3.47 USER MOD Set 1.2: B 112 GLN : amide:sc= -3.83 K(o=-7.3,f=-8.1!) USER MOD Set 2.1: A 13 HIS :FLIP no HE2:sc= -2.86 F(o=-3.8,f=-2.9) USER MOD Set 2.2: B 102 SER OG : rot 90:sc= -0.0384 USER MOD Set 3.1: A 2 SER OG : rot -45:sc= -1.04 USER MOD Set 3.2: B 113 HIS : no HD1:sc= -2.02 K(o=-3.1,f=-12!) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00494 USER MOD Single : A 8 MET CE :methyl -129:sc= -5.87! (180deg=-11.2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0957 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.073) USER MOD Single : A 14 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.48) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.532 F(o=-1.5,f=-0.53) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -0.606 (180deg=-1.03) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -136:sc= 0 (180deg=-1.08) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.516 USER MOD Single : A 44 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.8!) USER MOD Single : A 47 GLN : amide:sc= -1.69 X(o=-1.7,f=-2.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 156:sc= -0.0178 (180deg=-0.649) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 105 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : B 108 MET CE :methyl -125:sc= -7.32! (180deg=-10.1!) USER MOD Single : B 111 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 114 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.1!) USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 117 LYS NZ :NH3+ -169:sc= 0.84 (180deg=0.664) USER MOD Single : B 123 GLN : amide:sc=-0.00125 X(o=-0.0013,f=0) USER MOD Single : B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 126 THR OG1 : rot 170:sc= -0.33 USER MOD Single : B 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 129 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.1!) USER MOD Single : B 130 TYR OH : rot 30:sc= -0.304 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -16.105 -15.913 4.129 1.00 0.00 N ATOM 21 CA SER A 2 -15.996 -15.033 2.971 1.00 0.00 C ATOM 22 C SER A 2 -14.598 -14.441 2.866 1.00 0.00 C ATOM 23 O SER A 2 -14.394 -13.257 3.111 1.00 0.00 O ATOM 24 CB SER A 2 -17.040 -13.918 3.047 1.00 0.00 C ATOM 25 OG SER A 2 -17.617 -13.677 1.776 1.00 0.00 O ATOM 0 HA SER A 2 -16.182 -15.627 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.819 -14.192 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.576 -13.005 3.419 1.00 0.00 H new ATOM 0 HG SER A 2 -16.911 -13.649 1.096 1.00 0.00 H new ATOM 31 N ARG A 3 -13.637 -15.276 2.489 1.00 0.00 N ATOM 32 CA ARG A 3 -12.257 -14.835 2.344 1.00 0.00 C ATOM 33 C ARG A 3 -11.982 -14.450 0.896 1.00 0.00 C ATOM 34 O ARG A 3 -12.123 -15.265 -0.015 1.00 0.00 O ATOM 35 CB ARG A 3 -11.302 -15.946 2.802 1.00 0.00 C ATOM 36 CG ARG A 3 -9.846 -15.731 2.409 1.00 0.00 C ATOM 37 CD ARG A 3 -8.953 -15.583 3.631 1.00 0.00 C ATOM 38 NE ARG A 3 -8.250 -16.824 3.946 1.00 0.00 N ATOM 39 CZ ARG A 3 -7.642 -17.059 5.107 1.00 0.00 C ATOM 40 NH1 ARG A 3 -7.645 -16.140 6.064 1.00 0.00 N ATOM 41 NH2 ARG A 3 -7.029 -18.217 5.310 1.00 0.00 N ATOM 0 H ARG A 3 -13.789 -16.262 2.278 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.093 -13.958 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.363 -16.035 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.641 -16.894 2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.503 -16.572 1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.764 -14.839 1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.227 -14.789 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.556 -15.280 4.487 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.223 -17.554 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.115 -15.247 5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.177 -16.326 6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.024 -18.927 4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.563 -18.398 6.199 1.00 0.00 H new ATOM 55 N LEU A 4 -11.603 -13.195 0.697 1.00 0.00 N ATOM 56 CA LEU A 4 -11.324 -12.684 -0.634 1.00 0.00 C ATOM 57 C LEU A 4 -9.831 -12.720 -0.940 1.00 0.00 C ATOM 58 O LEU A 4 -9.015 -12.234 -0.158 1.00 0.00 O ATOM 59 CB LEU A 4 -11.857 -11.246 -0.753 1.00 0.00 C ATOM 60 CG LEU A 4 -10.917 -10.233 -1.421 1.00 0.00 C ATOM 61 CD1 LEU A 4 -11.001 -10.340 -2.939 1.00 0.00 C ATOM 62 CD2 LEU A 4 -11.245 -8.817 -0.962 1.00 0.00 C ATOM 0 H LEU A 4 -11.482 -12.512 1.444 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.826 -13.322 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.790 -11.271 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.097 -10.885 0.247 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.895 -10.463 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.327 -9.613 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.714 -11.345 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.022 -10.139 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.569 -8.112 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.273 -8.576 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.128 -8.749 0.120 1.00 0.00 H new ATOM 74 N THR A 5 -9.485 -13.253 -2.104 1.00 0.00 N ATOM 75 CA THR A 5 -8.096 -13.293 -2.531 1.00 0.00 C ATOM 76 C THR A 5 -7.858 -12.150 -3.502 1.00 0.00 C ATOM 77 O THR A 5 -8.522 -12.056 -4.529 1.00 0.00 O ATOM 78 CB THR A 5 -7.759 -14.630 -3.187 1.00 0.00 C ATOM 79 OG1 THR A 5 -8.182 -15.711 -2.376 1.00 0.00 O ATOM 80 CG2 THR A 5 -6.278 -14.800 -3.448 1.00 0.00 C ATOM 0 H THR A 5 -10.145 -13.662 -2.766 1.00 0.00 H new ATOM 0 HA THR A 5 -7.448 -13.186 -1.661 1.00 0.00 H new ATOM 0 HB THR A 5 -8.287 -14.630 -4.141 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.958 -16.557 -2.816 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.100 -15.769 -3.915 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.932 -14.008 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.734 -14.746 -2.505 1.00 0.00 H new ATOM 88 N ILE A 6 -6.941 -11.262 -3.163 1.00 0.00 N ATOM 89 CA ILE A 6 -6.668 -10.105 -4.005 1.00 0.00 C ATOM 90 C ILE A 6 -5.230 -10.084 -4.494 1.00 0.00 C ATOM 91 O ILE A 6 -4.303 -10.374 -3.738 1.00 0.00 O ATOM 92 CB ILE A 6 -6.948 -8.797 -3.235 1.00 0.00 C ATOM 93 CG1 ILE A 6 -8.252 -8.906 -2.448 1.00 0.00 C ATOM 94 CG2 ILE A 6 -7.007 -7.616 -4.185 1.00 0.00 C ATOM 95 CD1 ILE A 6 -8.379 -7.882 -1.344 1.00 0.00 C ATOM 0 H ILE A 6 -6.374 -11.316 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.329 -10.182 -4.868 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.130 -8.636 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.091 -8.794 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.324 -9.904 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.205 -6.705 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.054 -7.520 -4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.804 -7.773 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.329 -8.019 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.560 -8.007 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.339 -6.880 -1.771 1.00 0.00 H new ATOM 107 N ASP A 7 -5.045 -9.716 -5.757 1.00 0.00 N ATOM 108 CA ASP A 7 -3.709 -9.636 -6.325 1.00 0.00 C ATOM 109 C ASP A 7 -3.223 -8.194 -6.281 1.00 0.00 C ATOM 110 O ASP A 7 -3.878 -7.291 -6.798 1.00 0.00 O ATOM 111 CB ASP A 7 -3.707 -10.150 -7.765 1.00 0.00 C ATOM 112 CG ASP A 7 -2.308 -10.275 -8.335 1.00 0.00 C ATOM 113 OD1 ASP A 7 -1.628 -9.236 -8.473 1.00 0.00 O ATOM 114 OD2 ASP A 7 -1.891 -11.411 -8.644 1.00 0.00 O ATOM 0 H ASP A 7 -5.798 -9.471 -6.400 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.036 -10.261 -5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.199 -11.122 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.291 -9.474 -8.389 1.00 0.00 H new ATOM 119 N MET A 8 -2.076 -7.989 -5.652 1.00 0.00 N ATOM 120 CA MET A 8 -1.498 -6.657 -5.523 1.00 0.00 C ATOM 121 C MET A 8 -0.038 -6.657 -5.964 1.00 0.00 C ATOM 122 O MET A 8 0.587 -7.711 -6.071 1.00 0.00 O ATOM 123 CB MET A 8 -1.627 -6.141 -4.081 1.00 0.00 C ATOM 124 CG MET A 8 -2.453 -7.038 -3.166 1.00 0.00 C ATOM 125 SD MET A 8 -3.184 -6.137 -1.783 1.00 0.00 S ATOM 126 CE MET A 8 -4.870 -5.948 -2.356 1.00 0.00 C ATOM 0 H MET A 8 -1.524 -8.730 -5.221 1.00 0.00 H new ATOM 0 HA MET A 8 -2.053 -5.984 -6.176 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.629 -6.029 -3.657 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.078 -5.149 -4.101 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.246 -7.511 -3.746 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.821 -7.837 -2.780 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.167 -4.902 -2.276 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.938 -6.266 -3.396 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.533 -6.561 -1.745 1.00 0.00 H new ATOM 136 N THR A 9 0.501 -5.471 -6.225 1.00 0.00 N ATOM 137 CA THR A 9 1.887 -5.347 -6.659 1.00 0.00 C ATOM 138 C THR A 9 2.837 -5.360 -5.463 1.00 0.00 C ATOM 139 O THR A 9 2.447 -5.033 -4.345 1.00 0.00 O ATOM 140 CB THR A 9 2.078 -4.065 -7.475 1.00 0.00 C ATOM 141 OG1 THR A 9 0.887 -3.297 -7.495 1.00 0.00 O ATOM 142 CG2 THR A 9 2.470 -4.332 -8.908 1.00 0.00 C ATOM 0 H THR A 9 0.001 -4.585 -6.144 1.00 0.00 H new ATOM 0 HA THR A 9 2.122 -6.204 -7.290 1.00 0.00 H new ATOM 0 HB THR A 9 2.886 -3.524 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.032 -2.482 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.591 -3.385 -9.435 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.410 -4.883 -8.931 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.692 -4.921 -9.394 1.00 0.00 H new ATOM 150 N ASP A 10 4.079 -5.762 -5.709 1.00 0.00 N ATOM 151 CA ASP A 10 5.091 -5.847 -4.655 1.00 0.00 C ATOM 152 C ASP A 10 5.206 -4.548 -3.855 1.00 0.00 C ATOM 153 O ASP A 10 4.878 -4.513 -2.669 1.00 0.00 O ATOM 154 CB ASP A 10 6.457 -6.216 -5.248 1.00 0.00 C ATOM 155 CG ASP A 10 6.713 -5.567 -6.596 1.00 0.00 C ATOM 156 OD1 ASP A 10 6.078 -4.532 -6.886 1.00 0.00 O ATOM 157 OD2 ASP A 10 7.549 -6.094 -7.359 1.00 0.00 O ATOM 0 H ASP A 10 4.413 -6.036 -6.633 1.00 0.00 H new ATOM 0 HA ASP A 10 4.769 -6.630 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.241 -5.918 -4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.520 -7.299 -5.354 1.00 0.00 H new ATOM 162 N GLN A 11 5.688 -3.490 -4.500 1.00 0.00 N ATOM 163 CA GLN A 11 5.865 -2.200 -3.837 1.00 0.00 C ATOM 164 C GLN A 11 4.550 -1.665 -3.274 1.00 0.00 C ATOM 165 O GLN A 11 4.506 -1.150 -2.158 1.00 0.00 O ATOM 166 CB GLN A 11 6.464 -1.183 -4.810 1.00 0.00 C ATOM 167 CG GLN A 11 7.502 -0.273 -4.175 1.00 0.00 C ATOM 168 CD GLN A 11 8.328 0.476 -5.203 1.00 0.00 C ATOM 169 OE1 GLN A 11 7.808 1.304 -5.950 1.00 0.00 O ATOM 170 NE2 GLN A 11 9.624 0.187 -5.245 1.00 0.00 N ATOM 0 H GLN A 11 5.964 -3.500 -5.482 1.00 0.00 H new ATOM 0 HA GLN A 11 6.549 -2.353 -3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.921 -1.716 -5.644 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.662 -0.572 -5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.002 0.444 -3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.164 -0.867 -3.545 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.013 -0.507 -4.606 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.230 0.659 -5.916 1.00 0.00 H new ATOM 179 N GLN A 12 3.486 -1.772 -4.054 1.00 0.00 N ATOM 180 CA GLN A 12 2.179 -1.285 -3.628 1.00 0.00 C ATOM 181 C GLN A 12 1.643 -2.074 -2.434 1.00 0.00 C ATOM 182 O GLN A 12 1.189 -1.493 -1.447 1.00 0.00 O ATOM 183 CB GLN A 12 1.190 -1.355 -4.789 1.00 0.00 C ATOM 184 CG GLN A 12 0.147 -0.252 -4.769 1.00 0.00 C ATOM 185 CD GLN A 12 -1.193 -0.717 -5.298 1.00 0.00 C ATOM 186 OE1 GLN A 12 -1.784 -0.084 -6.174 1.00 0.00 O ATOM 187 NE2 GLN A 12 -1.681 -1.830 -4.765 1.00 0.00 N ATOM 0 H GLN A 12 3.499 -2.191 -4.984 1.00 0.00 H new ATOM 0 HA GLN A 12 2.297 -0.248 -3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.741 -1.305 -5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.685 -2.321 -4.767 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.026 0.111 -3.749 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.499 0.589 -5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.156 -2.322 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.581 -2.194 -5.079 1.00 0.00 H new ATOM 196 N HIS A 13 1.680 -3.400 -2.538 1.00 0.00 N ATOM 197 CA HIS A 13 1.180 -4.272 -1.476 1.00 0.00 C ATOM 198 C HIS A 13 1.862 -3.995 -0.139 1.00 0.00 C ATOM 199 O HIS A 13 1.223 -4.045 0.904 1.00 0.00 O ATOM 200 CB HIS A 13 1.378 -5.742 -1.851 1.00 0.00 C ATOM 201 CG HIS A 13 0.619 -6.691 -0.973 1.00 0.00 C ATOM 202 ND1 HIS A 13 -0.157 -6.467 0.116 1.00 0.00 N flip ATOM 203 CD2 HIS A 13 0.608 -8.057 -1.172 1.00 0.00 C flip ATOM 204 CE1 HIS A 13 -0.616 -7.688 0.546 1.00 0.00 C flip ATOM 205 NE2 HIS A 13 -0.142 -8.629 -0.247 1.00 0.00 N flip ATOM 0 H HIS A 13 2.052 -3.896 -3.348 1.00 0.00 H new ATOM 0 HA HIS A 13 0.117 -4.060 -1.366 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.068 -5.890 -2.885 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.440 -5.982 -1.799 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -0.362 -5.561 0.537 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.131 -8.577 -1.961 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -1.261 -7.851 1.397 1.00 0.00 H new ATOM 214 N GLN A 14 3.156 -3.711 -0.173 1.00 0.00 N ATOM 215 CA GLN A 14 3.906 -3.438 1.045 1.00 0.00 C ATOM 216 C GLN A 14 3.521 -2.086 1.610 1.00 0.00 C ATOM 217 O GLN A 14 3.510 -1.884 2.825 1.00 0.00 O ATOM 218 CB GLN A 14 5.410 -3.480 0.772 1.00 0.00 C ATOM 219 CG GLN A 14 5.857 -2.541 -0.334 1.00 0.00 C ATOM 220 CD GLN A 14 7.364 -2.384 -0.396 1.00 0.00 C ATOM 221 OE1 GLN A 14 8.110 -3.303 -0.058 1.00 0.00 O ATOM 222 NE2 GLN A 14 7.819 -1.213 -0.827 1.00 0.00 N ATOM 0 H GLN A 14 3.708 -3.664 -1.029 1.00 0.00 H new ATOM 0 HA GLN A 14 3.662 -4.209 1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.944 -3.228 1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.694 -4.499 0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.495 -2.916 -1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.400 -1.563 -0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.164 -0.479 -1.097 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.824 -1.047 -0.888 1.00 0.00 H new ATOM 231 N SER A 15 3.204 -1.159 0.717 1.00 0.00 N ATOM 232 CA SER A 15 2.814 0.178 1.126 1.00 0.00 C ATOM 233 C SER A 15 1.562 0.127 1.994 1.00 0.00 C ATOM 234 O SER A 15 1.519 0.714 3.075 1.00 0.00 O ATOM 235 CB SER A 15 2.571 1.063 -0.097 1.00 0.00 C ATOM 236 OG SER A 15 2.734 2.434 0.223 1.00 0.00 O ATOM 0 H SER A 15 3.210 -1.310 -0.292 1.00 0.00 H new ATOM 0 HA SER A 15 3.627 0.607 1.711 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.264 0.787 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.564 0.893 -0.478 1.00 0.00 H new ATOM 0 HG SER A 15 2.575 2.978 -0.577 1.00 0.00 H new ATOM 242 N LEU A 16 0.547 -0.589 1.519 1.00 0.00 N ATOM 243 CA LEU A 16 -0.701 -0.725 2.260 1.00 0.00 C ATOM 244 C LEU A 16 -0.588 -1.806 3.331 1.00 0.00 C ATOM 245 O LEU A 16 -1.090 -1.642 4.443 1.00 0.00 O ATOM 246 CB LEU A 16 -1.859 -1.037 1.313 1.00 0.00 C ATOM 247 CG LEU A 16 -2.603 0.191 0.788 1.00 0.00 C ATOM 248 CD1 LEU A 16 -3.366 0.870 1.915 1.00 0.00 C ATOM 249 CD2 LEU A 16 -1.631 1.165 0.139 1.00 0.00 C ATOM 0 H LEU A 16 0.565 -1.083 0.627 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.901 0.226 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.474 -1.602 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.570 -1.682 1.830 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.319 -0.134 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.890 1.742 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.088 0.172 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.667 1.183 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.177 2.033 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.892 1.486 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.126 0.675 -0.693 1.00 0.00 H new ATOM 261 N LYS A 17 0.082 -2.908 2.997 1.00 0.00 N ATOM 262 CA LYS A 17 0.260 -4.002 3.948 1.00 0.00 C ATOM 263 C LYS A 17 1.030 -3.513 5.170 1.00 0.00 C ATOM 264 O LYS A 17 0.811 -3.984 6.286 1.00 0.00 O ATOM 265 CB LYS A 17 0.993 -5.171 3.292 1.00 0.00 C ATOM 266 CG LYS A 17 1.056 -6.408 4.166 1.00 0.00 C ATOM 267 CD LYS A 17 2.314 -6.424 5.009 1.00 0.00 C ATOM 268 CE LYS A 17 3.206 -7.602 4.654 1.00 0.00 C ATOM 269 NZ LYS A 17 3.891 -8.163 5.851 1.00 0.00 N ATOM 0 H LYS A 17 0.507 -3.066 2.083 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.723 -4.349 4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.496 -5.422 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.007 -4.860 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.181 -6.442 4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.024 -7.300 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.863 -5.494 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.046 -6.474 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.607 -8.380 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.952 -7.285 3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.489 -8.964 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.483 -7.428 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.180 -8.489 6.537 1.00 0.00 H new ATOM 283 N ALA A 18 1.925 -2.554 4.949 1.00 0.00 N ATOM 284 CA ALA A 18 2.718 -1.984 6.025 1.00 0.00 C ATOM 285 C ALA A 18 1.846 -1.137 6.945 1.00 0.00 C ATOM 286 O ALA A 18 1.970 -1.198 8.168 1.00 0.00 O ATOM 287 CB ALA A 18 3.859 -1.151 5.460 1.00 0.00 C ATOM 0 H ALA A 18 2.117 -2.157 4.029 1.00 0.00 H new ATOM 0 HA ALA A 18 3.141 -2.801 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.443 -0.731 6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.499 -1.782 4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.453 -0.342 4.852 1.00 0.00 H new ATOM 293 N LEU A 19 0.955 -0.350 6.344 1.00 0.00 N ATOM 294 CA LEU A 19 0.054 0.507 7.104 1.00 0.00 C ATOM 295 C LEU A 19 -0.803 -0.325 8.050 1.00 0.00 C ATOM 296 O LEU A 19 -1.138 0.115 9.150 1.00 0.00 O ATOM 297 CB LEU A 19 -0.839 1.312 6.157 1.00 0.00 C ATOM 298 CG LEU A 19 -0.432 2.775 5.978 1.00 0.00 C ATOM 299 CD1 LEU A 19 -0.440 3.160 4.506 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.353 3.688 6.774 1.00 0.00 C ATOM 0 H LEU A 19 0.840 -0.290 5.332 1.00 0.00 H new ATOM 0 HA LEU A 19 0.654 1.199 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.838 0.828 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.863 1.278 6.529 1.00 0.00 H new ATOM 0 HG LEU A 19 0.583 2.895 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.147 4.205 4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.263 2.530 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.442 3.021 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.047 4.725 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.379 3.562 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.294 3.432 7.832 1.00 0.00 H new ATOM 312 N ALA A 20 -1.144 -1.535 7.618 1.00 0.00 N ATOM 313 CA ALA A 20 -1.952 -2.434 8.430 1.00 0.00 C ATOM 314 C ALA A 20 -1.283 -2.682 9.779 1.00 0.00 C ATOM 315 O ALA A 20 -1.899 -2.515 10.832 1.00 0.00 O ATOM 316 CB ALA A 20 -2.170 -3.749 7.705 1.00 0.00 C ATOM 0 H ALA A 20 -0.873 -1.914 6.711 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.920 -1.965 8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.776 -4.410 8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.684 -3.564 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.207 -4.219 7.507 1.00 0.00 H new ATOM 322 N ALA A 21 -0.012 -3.073 9.733 1.00 0.00 N ATOM 323 CA ALA A 21 0.758 -3.338 10.935 1.00 0.00 C ATOM 324 C ALA A 21 1.082 -2.043 11.658 1.00 0.00 C ATOM 325 O ALA A 21 1.131 -1.997 12.887 1.00 0.00 O ATOM 326 CB ALA A 21 2.034 -4.088 10.585 1.00 0.00 C ATOM 0 H ALA A 21 0.506 -3.213 8.866 1.00 0.00 H new ATOM 0 HA ALA A 21 0.160 -3.959 11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.603 -4.281 11.494 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.780 -5.034 10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.634 -3.486 9.902 1.00 0.00 H new ATOM 332 N LEU A 22 1.306 -0.991 10.881 1.00 0.00 N ATOM 333 CA LEU A 22 1.628 0.309 11.442 1.00 0.00 C ATOM 334 C LEU A 22 0.485 0.813 12.315 1.00 0.00 C ATOM 335 O LEU A 22 0.706 1.478 13.327 1.00 0.00 O ATOM 336 CB LEU A 22 1.923 1.313 10.325 1.00 0.00 C ATOM 337 CG LEU A 22 3.383 1.754 10.226 1.00 0.00 C ATOM 338 CD1 LEU A 22 4.230 0.659 9.595 1.00 0.00 C ATOM 339 CD2 LEU A 22 3.497 3.046 9.431 1.00 0.00 C ATOM 0 H LEU A 22 1.270 -1.015 9.862 1.00 0.00 H new ATOM 0 HA LEU A 22 2.518 0.205 12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.626 0.873 9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.301 2.196 10.476 1.00 0.00 H new ATOM 0 HG LEU A 22 3.757 1.938 11.233 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.266 0.991 9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.174 -0.242 10.206 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.858 0.442 8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.543 3.345 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.106 2.890 8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.924 3.830 9.926 1.00 0.00 H new ATOM 351 N GLN A 23 -0.736 0.484 11.914 1.00 0.00 N ATOM 352 CA GLN A 23 -1.924 0.893 12.653 1.00 0.00 C ATOM 353 C GLN A 23 -2.105 0.042 13.908 1.00 0.00 C ATOM 354 O GLN A 23 -2.744 0.469 14.870 1.00 0.00 O ATOM 355 CB GLN A 23 -3.162 0.787 11.758 1.00 0.00 C ATOM 356 CG GLN A 23 -3.779 2.132 11.415 1.00 0.00 C ATOM 357 CD GLN A 23 -5.292 2.075 11.330 1.00 0.00 C ATOM 358 OE1 GLN A 23 -5.930 1.651 12.415 1.00 0.00 O flip ATOM 359 NE2 GLN A 23 -5.881 2.408 10.301 1.00 0.00 N flip ATOM 0 H GLN A 23 -0.930 -0.067 11.078 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.796 1.931 12.961 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.890 0.275 10.835 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -3.909 0.170 12.257 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.488 2.864 12.169 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.378 2.479 10.463 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.351 2.728 9.491 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.899 2.364 10.259 1.00 0.00 H new ATOM 368 N GLY A 24 -1.536 -1.162 13.895 1.00 0.00 N ATOM 369 CA GLY A 24 -1.645 -2.047 15.040 1.00 0.00 C ATOM 370 C GLY A 24 -2.463 -3.289 14.741 1.00 0.00 C ATOM 371 O GLY A 24 -3.100 -3.850 15.632 1.00 0.00 O ATOM 0 H GLY A 24 -1.002 -1.539 13.112 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.647 -2.343 15.362 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.101 -1.507 15.870 1.00 0.00 H new ATOM 375 N LYS A 25 -2.448 -3.718 13.483 1.00 0.00 N ATOM 376 CA LYS A 25 -3.195 -4.900 13.070 1.00 0.00 C ATOM 377 C LYS A 25 -2.650 -5.460 11.759 1.00 0.00 C ATOM 378 O LYS A 25 -1.671 -4.953 11.217 1.00 0.00 O ATOM 379 CB LYS A 25 -4.677 -4.557 12.913 1.00 0.00 C ATOM 380 CG LYS A 25 -4.927 -3.310 12.080 1.00 0.00 C ATOM 381 CD LYS A 25 -6.157 -2.556 12.560 1.00 0.00 C ATOM 382 CE LYS A 25 -6.484 -1.385 11.647 1.00 0.00 C ATOM 383 NZ LYS A 25 -7.588 -1.709 10.702 1.00 0.00 N ATOM 0 H LYS A 25 -1.927 -3.265 12.732 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.082 -5.661 13.842 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.190 -5.401 12.452 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.116 -4.418 13.901 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.056 -2.657 12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.055 -3.590 11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.008 -3.235 12.601 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.990 -2.193 13.574 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.764 -0.522 12.250 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.594 -1.105 11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.592 -1.020 9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.447 -2.665 10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.498 -1.669 11.204 1.00 0.00 H new ATOM 397 N THR A 26 -3.295 -6.500 11.249 1.00 0.00 N ATOM 398 CA THR A 26 -2.879 -7.117 9.995 1.00 0.00 C ATOM 399 C THR A 26 -3.703 -6.563 8.845 1.00 0.00 C ATOM 400 O THR A 26 -4.868 -6.211 9.024 1.00 0.00 O ATOM 401 CB THR A 26 -3.032 -8.637 10.068 1.00 0.00 C ATOM 402 OG1 THR A 26 -2.796 -9.226 8.802 1.00 0.00 O ATOM 403 CG2 THR A 26 -4.404 -9.079 10.532 1.00 0.00 C ATOM 0 H THR A 26 -4.109 -6.935 11.684 1.00 0.00 H new ATOM 0 HA THR A 26 -1.828 -6.884 9.824 1.00 0.00 H new ATOM 0 HB THR A 26 -2.295 -8.967 10.800 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.897 -10.198 8.870 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.445 -10.168 10.561 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.597 -8.682 11.529 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.160 -8.706 9.841 1.00 0.00 H new ATOM 411 N ILE A 27 -3.097 -6.474 7.665 1.00 0.00 N ATOM 412 CA ILE A 27 -3.798 -5.943 6.502 1.00 0.00 C ATOM 413 C ILE A 27 -5.159 -6.609 6.331 1.00 0.00 C ATOM 414 O ILE A 27 -6.109 -5.978 5.873 1.00 0.00 O ATOM 415 CB ILE A 27 -2.977 -6.071 5.193 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.913 -6.122 3.986 1.00 0.00 C ATOM 417 CG2 ILE A 27 -2.072 -7.289 5.222 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.297 -5.620 2.701 1.00 0.00 C ATOM 0 H ILE A 27 -2.133 -6.759 7.490 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.940 -4.879 6.693 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.340 -5.191 5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.243 -7.151 3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.802 -5.530 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.511 -7.348 4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.378 -7.207 6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.676 -8.189 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.028 -5.691 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.993 -4.581 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.425 -6.226 2.454 1.00 0.00 H new ATOM 430 N LYS A 28 -5.266 -7.874 6.716 1.00 0.00 N ATOM 431 CA LYS A 28 -6.536 -8.574 6.603 1.00 0.00 C ATOM 432 C LYS A 28 -7.634 -7.800 7.334 1.00 0.00 C ATOM 433 O LYS A 28 -8.818 -7.959 7.047 1.00 0.00 O ATOM 434 CB LYS A 28 -6.427 -9.996 7.150 1.00 0.00 C ATOM 435 CG LYS A 28 -6.045 -11.017 6.096 1.00 0.00 C ATOM 436 CD LYS A 28 -5.238 -12.160 6.686 1.00 0.00 C ATOM 437 CE LYS A 28 -6.029 -13.458 6.673 1.00 0.00 C ATOM 438 NZ LYS A 28 -5.392 -14.509 7.515 1.00 0.00 N ATOM 0 H LYS A 28 -4.502 -8.428 7.103 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.798 -8.639 5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.686 -10.015 7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.381 -10.281 7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.947 -11.412 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.466 -10.530 5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.316 -12.288 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.952 -11.916 7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.041 -13.270 7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.117 -13.819 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.402 -15.416 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.409 -14.239 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.919 -14.607 8.406 1.00 0.00 H new ATOM 452 N GLN A 29 -7.218 -6.946 8.266 1.00 0.00 N ATOM 453 CA GLN A 29 -8.142 -6.118 9.028 1.00 0.00 C ATOM 454 C GLN A 29 -8.177 -4.714 8.443 1.00 0.00 C ATOM 455 O GLN A 29 -9.241 -4.134 8.228 1.00 0.00 O ATOM 456 CB GLN A 29 -7.698 -6.039 10.489 1.00 0.00 C ATOM 457 CG GLN A 29 -8.816 -6.306 11.482 1.00 0.00 C ATOM 458 CD GLN A 29 -9.129 -7.782 11.625 1.00 0.00 C ATOM 459 OE1 GLN A 29 -8.564 -8.619 10.920 1.00 0.00 O ATOM 460 NE2 GLN A 29 -10.033 -8.110 12.540 1.00 0.00 N ATOM 0 H GLN A 29 -6.237 -6.811 8.511 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.135 -6.565 8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.897 -6.759 10.655 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.283 -5.050 10.680 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.537 -5.902 12.455 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.714 -5.777 11.163 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.476 -7.384 13.102 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.284 -9.088 12.681 1.00 0.00 H new ATOM 469 N TYR A 30 -6.988 -4.177 8.199 1.00 0.00 N ATOM 470 CA TYR A 30 -6.836 -2.839 7.650 1.00 0.00 C ATOM 471 C TYR A 30 -7.399 -2.754 6.233 1.00 0.00 C ATOM 472 O TYR A 30 -8.212 -1.881 5.929 1.00 0.00 O ATOM 473 CB TYR A 30 -5.356 -2.467 7.654 1.00 0.00 C ATOM 474 CG TYR A 30 -5.077 -1.105 7.083 1.00 0.00 C ATOM 475 CD1 TYR A 30 -5.601 0.031 7.677 1.00 0.00 C ATOM 476 CD2 TYR A 30 -4.293 -0.958 5.949 1.00 0.00 C ATOM 477 CE1 TYR A 30 -5.353 1.286 7.155 1.00 0.00 C ATOM 478 CE2 TYR A 30 -4.037 0.290 5.418 1.00 0.00 C ATOM 479 CZ TYR A 30 -4.570 1.410 6.025 1.00 0.00 C ATOM 480 OH TYR A 30 -4.318 2.657 5.499 1.00 0.00 O ATOM 0 H TYR A 30 -6.105 -4.657 8.376 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.397 -2.138 8.268 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.983 -2.506 8.677 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.801 -3.212 7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.213 -0.066 8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.876 -1.834 5.474 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.769 2.164 7.628 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.424 0.390 4.534 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.750 2.569 4.705 1.00 0.00 H new ATOM 490 N ALA A 31 -6.981 -3.679 5.378 1.00 0.00 N ATOM 491 CA ALA A 31 -7.460 -3.728 4.001 1.00 0.00 C ATOM 492 C ALA A 31 -8.935 -4.050 3.985 1.00 0.00 C ATOM 493 O ALA A 31 -9.691 -3.535 3.165 1.00 0.00 O ATOM 494 CB ALA A 31 -6.695 -4.769 3.204 1.00 0.00 C ATOM 0 H ALA A 31 -6.309 -4.409 5.615 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.297 -2.753 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.068 -4.789 2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.635 -4.517 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.833 -5.750 3.660 1.00 0.00 H new ATOM 500 N LEU A 32 -9.333 -4.909 4.910 1.00 0.00 N ATOM 501 CA LEU A 32 -10.713 -5.321 5.026 1.00 0.00 C ATOM 502 C LEU A 32 -11.625 -4.111 5.167 1.00 0.00 C ATOM 503 O LEU A 32 -12.604 -3.970 4.442 1.00 0.00 O ATOM 504 CB LEU A 32 -10.872 -6.254 6.225 1.00 0.00 C ATOM 505 CG LEU A 32 -12.295 -6.397 6.776 1.00 0.00 C ATOM 506 CD1 LEU A 32 -13.276 -6.705 5.654 1.00 0.00 C ATOM 507 CD2 LEU A 32 -12.345 -7.480 7.843 1.00 0.00 C ATOM 0 H LEU A 32 -8.709 -5.335 5.595 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.999 -5.855 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.511 -7.243 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.226 -5.897 7.027 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.584 -5.450 7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.281 -6.803 6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.260 -5.895 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.991 -7.638 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.362 -7.569 8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.035 -8.431 7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.673 -7.217 8.660 1.00 0.00 H new ATOM 519 N GLU A 33 -11.287 -3.238 6.106 1.00 0.00 N ATOM 520 CA GLU A 33 -12.069 -2.037 6.342 1.00 0.00 C ATOM 521 C GLU A 33 -11.874 -1.032 5.214 1.00 0.00 C ATOM 522 O GLU A 33 -12.756 -0.221 4.929 1.00 0.00 O ATOM 523 CB GLU A 33 -11.690 -1.405 7.683 1.00 0.00 C ATOM 524 CG GLU A 33 -12.459 -1.976 8.863 1.00 0.00 C ATOM 525 CD GLU A 33 -13.914 -1.549 8.872 1.00 0.00 C ATOM 526 OE1 GLU A 33 -14.177 -0.335 8.736 1.00 0.00 O ATOM 527 OE2 GLU A 33 -14.790 -2.427 9.013 1.00 0.00 O ATOM 0 H GLU A 33 -10.476 -3.341 6.716 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.121 -2.320 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.623 -1.546 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.865 -0.330 7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.404 -3.064 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.984 -1.656 9.791 1.00 0.00 H new ATOM 534 N ARG A 34 -10.711 -1.091 4.577 1.00 0.00 N ATOM 535 CA ARG A 34 -10.394 -0.188 3.480 1.00 0.00 C ATOM 536 C ARG A 34 -11.287 -0.458 2.272 1.00 0.00 C ATOM 537 O ARG A 34 -11.510 0.426 1.446 1.00 0.00 O ATOM 538 CB ARG A 34 -8.923 -0.317 3.084 1.00 0.00 C ATOM 539 CG ARG A 34 -8.387 0.895 2.340 1.00 0.00 C ATOM 540 CD ARG A 34 -8.582 2.174 3.137 1.00 0.00 C ATOM 541 NE ARG A 34 -7.893 3.309 2.528 1.00 0.00 N ATOM 542 CZ ARG A 34 -8.210 4.582 2.757 1.00 0.00 C ATOM 543 NH1 ARG A 34 -9.199 4.887 3.588 1.00 0.00 N ATOM 544 NH2 ARG A 34 -7.534 5.551 2.156 1.00 0.00 N ATOM 0 H ARG A 34 -9.971 -1.756 4.802 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.578 0.830 3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.326 -0.476 3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.799 -1.201 2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.327 0.754 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.892 0.985 1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.647 2.395 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.213 2.028 4.152 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.122 3.115 1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.720 4.145 4.055 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.438 5.864 3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.772 5.321 1.519 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.776 6.526 2.331 1.00 0.00 H new ATOM 558 N LEU A 35 -11.803 -1.681 2.176 1.00 0.00 N ATOM 559 CA LEU A 35 -12.685 -2.055 1.083 1.00 0.00 C ATOM 560 C LEU A 35 -14.090 -1.509 1.325 1.00 0.00 C ATOM 561 O LEU A 35 -14.864 -1.318 0.387 1.00 0.00 O ATOM 562 CB LEU A 35 -12.720 -3.577 0.919 1.00 0.00 C ATOM 563 CG LEU A 35 -11.353 -4.251 0.771 1.00 0.00 C ATOM 564 CD1 LEU A 35 -11.508 -5.668 0.239 1.00 0.00 C ATOM 565 CD2 LEU A 35 -10.444 -3.434 -0.137 1.00 0.00 C ATOM 0 H LEU A 35 -11.622 -2.429 2.846 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.299 -1.620 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.227 -4.007 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.322 -3.818 0.043 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.891 -4.304 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.525 -6.129 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.116 -6.252 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.994 -5.639 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.478 -3.931 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.900 -3.344 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.302 -2.441 0.289 1.00 0.00 H new ATOM 618 N ASP A 39 -16.666 7.055 1.636 1.00 0.00 N ATOM 619 CA ASP A 39 -16.049 8.168 0.927 1.00 0.00 C ATOM 620 C ASP A 39 -15.932 9.394 1.821 1.00 0.00 C ATOM 621 O ASP A 39 -16.736 9.597 2.731 1.00 0.00 O ATOM 622 CB ASP A 39 -16.853 8.522 -0.322 1.00 0.00 C ATOM 623 CG ASP A 39 -16.676 7.508 -1.434 1.00 0.00 C ATOM 624 OD1 ASP A 39 -17.356 6.460 -1.396 1.00 0.00 O ATOM 625 OD2 ASP A 39 -15.857 7.760 -2.343 1.00 0.00 O ATOM 0 HA ASP A 39 -15.047 7.854 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.909 8.591 -0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.548 9.505 -0.680 1.00 0.00 H new ATOM 630 N ALA A 40 -14.924 10.210 1.545 1.00 0.00 N ATOM 631 CA ALA A 40 -14.687 11.425 2.305 1.00 0.00 C ATOM 632 C ALA A 40 -14.020 12.491 1.440 1.00 0.00 C ATOM 633 O ALA A 40 -13.476 13.467 1.953 1.00 0.00 O ATOM 634 CB ALA A 40 -13.829 11.123 3.518 1.00 0.00 C ATOM 0 H ALA A 40 -14.253 10.049 0.794 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.650 11.812 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.658 12.041 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.339 10.398 4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.873 10.712 3.194 1.00 0.00 H new ATOM 640 N ASP A 41 -14.064 12.294 0.127 1.00 0.00 N ATOM 641 CA ASP A 41 -13.457 13.233 -0.811 1.00 0.00 C ATOM 642 C ASP A 41 -14.102 14.612 -0.707 1.00 0.00 C ATOM 643 O ASP A 41 -13.411 15.624 -0.600 1.00 0.00 O ATOM 644 CB ASP A 41 -13.583 12.707 -2.241 1.00 0.00 C ATOM 645 CG ASP A 41 -12.516 11.684 -2.576 1.00 0.00 C ATOM 646 OD1 ASP A 41 -11.359 11.869 -2.142 1.00 0.00 O ATOM 647 OD2 ASP A 41 -12.836 10.697 -3.273 1.00 0.00 O ATOM 0 H ASP A 41 -14.514 11.491 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.402 13.329 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.567 12.259 -2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.515 13.541 -2.939 1.00 0.00 H new ATOM 652 N ALA A 42 -15.429 14.646 -0.742 1.00 0.00 N ATOM 653 CA ALA A 42 -16.164 15.902 -0.657 1.00 0.00 C ATOM 654 C ALA A 42 -15.788 16.684 0.600 1.00 0.00 C ATOM 655 O ALA A 42 -15.878 17.912 0.628 1.00 0.00 O ATOM 656 CB ALA A 42 -17.662 15.638 -0.687 1.00 0.00 C ATOM 0 H ALA A 42 -16.018 13.818 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.892 16.509 -1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -18.200 16.584 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -17.924 15.134 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -17.937 15.006 0.158 1.00 0.00 H new ATOM 662 N ASP A 43 -15.372 15.967 1.640 1.00 0.00 N ATOM 663 CA ASP A 43 -14.994 16.593 2.895 1.00 0.00 C ATOM 664 C ASP A 43 -13.477 16.595 3.096 1.00 0.00 C ATOM 665 O ASP A 43 -12.975 17.195 4.046 1.00 0.00 O ATOM 666 CB ASP A 43 -15.671 15.880 4.067 1.00 0.00 C ATOM 667 CG ASP A 43 -17.014 16.489 4.416 1.00 0.00 C ATOM 668 OD1 ASP A 43 -17.102 17.733 4.487 1.00 0.00 O ATOM 669 OD2 ASP A 43 -17.980 15.722 4.618 1.00 0.00 O ATOM 0 H ASP A 43 -15.289 14.950 1.634 1.00 0.00 H new ATOM 0 HA ASP A 43 -15.328 17.630 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.806 14.827 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -15.019 15.921 4.939 1.00 0.00 H new ATOM 674 N GLN A 44 -12.750 15.923 2.207 1.00 0.00 N ATOM 675 CA GLN A 44 -11.296 15.858 2.308 1.00 0.00 C ATOM 676 C GLN A 44 -10.630 16.433 1.062 1.00 0.00 C ATOM 677 O GLN A 44 -9.881 17.408 1.142 1.00 0.00 O ATOM 678 CB GLN A 44 -10.841 14.412 2.519 1.00 0.00 C ATOM 679 CG GLN A 44 -9.530 14.290 3.278 1.00 0.00 C ATOM 680 CD GLN A 44 -9.695 14.531 4.766 1.00 0.00 C ATOM 681 OE1 GLN A 44 -10.089 15.616 5.192 1.00 0.00 O ATOM 682 NE2 GLN A 44 -9.392 13.514 5.566 1.00 0.00 N ATOM 0 H GLN A 44 -13.142 15.418 1.412 1.00 0.00 H new ATOM 0 HA GLN A 44 -10.995 16.458 3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.617 13.872 3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.735 13.928 1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.113 13.296 3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.813 15.005 2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.069 12.632 5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.483 13.616 6.577 1.00 0.00 H new ATOM 691 N ALA A 45 -10.906 15.825 -0.087 1.00 0.00 N ATOM 692 CA ALA A 45 -10.332 16.275 -1.353 1.00 0.00 C ATOM 693 C ALA A 45 -10.528 17.775 -1.549 1.00 0.00 C ATOM 694 O ALA A 45 -9.604 18.485 -1.945 1.00 0.00 O ATOM 695 CB ALA A 45 -10.946 15.505 -2.512 1.00 0.00 C ATOM 0 H ALA A 45 -11.524 15.018 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.260 16.079 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.510 15.850 -3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.746 14.441 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.023 15.672 -2.530 1.00 0.00 H new ATOM 701 N TRP A 46 -11.736 18.252 -1.270 1.00 0.00 N ATOM 702 CA TRP A 46 -12.052 19.668 -1.417 1.00 0.00 C ATOM 703 C TRP A 46 -11.625 20.460 -0.183 1.00 0.00 C ATOM 704 O TRP A 46 -11.498 21.684 -0.234 1.00 0.00 O ATOM 705 CB TRP A 46 -13.550 19.855 -1.664 1.00 0.00 C ATOM 706 CG TRP A 46 -14.026 19.218 -2.934 1.00 0.00 C ATOM 707 CD1 TRP A 46 -14.312 17.899 -3.133 1.00 0.00 C ATOM 708 CD2 TRP A 46 -14.272 19.875 -4.183 1.00 0.00 C ATOM 709 NE1 TRP A 46 -14.720 17.694 -4.428 1.00 0.00 N ATOM 710 CE2 TRP A 46 -14.704 18.892 -5.093 1.00 0.00 C ATOM 711 CE3 TRP A 46 -14.169 21.199 -4.620 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -15.032 19.192 -6.413 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -14.494 21.495 -5.930 1.00 0.00 C ATOM 714 CH2 TRP A 46 -14.922 20.495 -6.814 1.00 0.00 C ATOM 0 H TRP A 46 -12.513 17.679 -0.941 1.00 0.00 H new ATOM 0 HA TRP A 46 -11.497 20.047 -2.275 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -14.105 19.435 -0.825 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -13.776 20.921 -1.694 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -14.229 17.128 -2.381 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -14.991 16.796 -4.829 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -13.841 21.976 -3.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -15.362 18.423 -7.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -14.417 22.514 -6.279 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -15.170 20.759 -7.832 1.00 0.00 H new ATOM 725 N GLN A 47 -11.407 19.757 0.924 1.00 0.00 N ATOM 726 CA GLN A 47 -10.999 20.399 2.169 1.00 0.00 C ATOM 727 C GLN A 47 -9.551 20.880 2.099 1.00 0.00 C ATOM 728 O GLN A 47 -9.137 21.736 2.881 1.00 0.00 O ATOM 729 CB GLN A 47 -11.173 19.432 3.343 1.00 0.00 C ATOM 730 CG GLN A 47 -12.143 19.930 4.402 1.00 0.00 C ATOM 731 CD GLN A 47 -12.020 19.169 5.709 1.00 0.00 C ATOM 732 OE1 GLN A 47 -12.997 18.611 6.210 1.00 0.00 O ATOM 733 NE2 GLN A 47 -10.815 19.142 6.267 1.00 0.00 N ATOM 0 H GLN A 47 -11.506 18.744 0.984 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.637 21.270 2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.524 18.472 2.964 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.202 19.256 3.805 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.964 20.990 4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -13.163 19.839 4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.034 19.618 5.817 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.671 18.645 7.146 1.00 0.00 H new ATOM 742 N GLU A 48 -8.783 20.324 1.169 1.00 0.00 N ATOM 743 CA GLU A 48 -7.381 20.702 1.011 1.00 0.00 C ATOM 744 C GLU A 48 -7.083 21.175 -0.409 1.00 0.00 C ATOM 745 O GLU A 48 -6.097 21.875 -0.639 1.00 0.00 O ATOM 746 CB GLU A 48 -6.471 19.525 1.369 1.00 0.00 C ATOM 747 CG GLU A 48 -6.412 19.233 2.861 1.00 0.00 C ATOM 748 CD GLU A 48 -6.712 17.781 3.183 1.00 0.00 C ATOM 749 OE1 GLU A 48 -7.813 17.310 2.830 1.00 0.00 O ATOM 750 OE2 GLU A 48 -5.847 17.117 3.791 1.00 0.00 O ATOM 0 H GLU A 48 -9.105 19.612 0.514 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.185 21.531 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.820 18.634 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.464 19.732 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.422 19.488 3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.126 19.872 3.381 1.00 0.00 H new ATOM 757 N LEU A 49 -7.938 20.806 -1.357 1.00 0.00 N ATOM 758 CA LEU A 49 -7.749 21.215 -2.742 1.00 0.00 C ATOM 759 C LEU A 49 -7.775 22.735 -2.845 1.00 0.00 C ATOM 760 O LEU A 49 -7.131 23.323 -3.714 1.00 0.00 O ATOM 761 CB LEU A 49 -8.835 20.606 -3.633 1.00 0.00 C ATOM 762 CG LEU A 49 -8.460 19.282 -4.298 1.00 0.00 C ATOM 763 CD1 LEU A 49 -9.692 18.615 -4.890 1.00 0.00 C ATOM 764 CD2 LEU A 49 -7.404 19.505 -5.370 1.00 0.00 C ATOM 0 H LEU A 49 -8.763 20.229 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.779 20.854 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.732 20.452 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.091 21.326 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.044 18.620 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.406 17.674 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.416 18.421 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.138 19.272 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.149 18.552 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.793 20.184 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.512 19.939 -4.918 1.00 0.00 H new ATOM 776 N LYS A 50 -8.521 23.363 -1.941 1.00 0.00 N ATOM 777 CA LYS A 50 -8.633 24.814 -1.912 1.00 0.00 C ATOM 778 C LYS A 50 -8.048 25.386 -0.619 1.00 0.00 C ATOM 779 O LYS A 50 -7.913 26.603 -0.479 1.00 0.00 O ATOM 780 CB LYS A 50 -10.097 25.234 -2.055 1.00 0.00 C ATOM 781 CG LYS A 50 -10.424 25.849 -3.406 1.00 0.00 C ATOM 782 CD LYS A 50 -10.568 24.787 -4.483 1.00 0.00 C ATOM 783 CE LYS A 50 -12.028 24.466 -4.758 1.00 0.00 C ATOM 784 NZ LYS A 50 -12.563 25.250 -5.906 1.00 0.00 N ATOM 0 H LYS A 50 -9.058 22.886 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.063 25.213 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.733 24.363 -1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.339 25.951 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.349 26.421 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.638 26.550 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.091 25.131 -5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.047 23.881 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.133 23.401 -4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.620 24.677 -3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.561 25.002 -6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.487 26.266 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.015 25.030 -6.762 1.00 0.00 H new ATOM 798 N THR A 51 -7.704 24.511 0.329 1.00 0.00 N ATOM 799 CA THR A 51 -7.140 24.955 1.599 1.00 0.00 C ATOM 800 C THR A 51 -5.880 24.163 1.965 1.00 0.00 C ATOM 801 O THR A 51 -4.782 24.509 1.530 1.00 0.00 O ATOM 802 CB THR A 51 -8.192 24.861 2.710 1.00 0.00 C ATOM 803 OG1 THR A 51 -9.346 25.607 2.370 1.00 0.00 O ATOM 804 CG2 THR A 51 -7.697 25.365 4.049 1.00 0.00 C ATOM 0 H THR A 51 -7.806 23.500 0.240 1.00 0.00 H new ATOM 0 HA THR A 51 -6.844 25.998 1.489 1.00 0.00 H new ATOM 0 HB THR A 51 -8.420 23.799 2.803 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.007 25.534 3.090 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.491 25.270 4.790 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.835 24.776 4.363 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.408 26.412 3.959 1.00 0.00 H new ATOM 812 N MET A 52 -6.035 23.107 2.764 1.00 0.00 N ATOM 813 CA MET A 52 -4.900 22.283 3.178 1.00 0.00 C ATOM 814 C MET A 52 -4.029 23.023 4.187 1.00 0.00 C ATOM 815 O MET A 52 -3.907 22.607 5.339 1.00 0.00 O ATOM 816 CB MET A 52 -4.061 21.870 1.965 1.00 0.00 C ATOM 817 CG MET A 52 -3.109 20.718 2.249 1.00 0.00 C ATOM 818 SD MET A 52 -2.807 19.689 0.799 1.00 0.00 S ATOM 819 CE MET A 52 -2.583 20.940 -0.465 1.00 0.00 C ATOM 0 H MET A 52 -6.934 22.803 3.137 1.00 0.00 H new ATOM 0 HA MET A 52 -5.295 21.386 3.654 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.728 21.587 1.151 1.00 0.00 H new ATOM 0 HB3 MET A 52 -3.486 22.730 1.621 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.161 21.116 2.610 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.520 20.101 3.048 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.990 20.529 -1.282 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.556 21.253 -0.844 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.067 21.800 -0.038 1.00 0.00 H new ATOM 829 N LEU A 53 -3.424 24.122 3.748 1.00 0.00 N ATOM 830 CA LEU A 53 -2.563 24.921 4.615 1.00 0.00 C ATOM 831 C LEU A 53 -3.304 25.348 5.880 1.00 0.00 C ATOM 832 O LEU A 53 -4.436 24.927 6.119 1.00 0.00 O ATOM 833 CB LEU A 53 -2.057 26.156 3.868 1.00 0.00 C ATOM 834 CG LEU A 53 -3.135 27.187 3.518 1.00 0.00 C ATOM 835 CD1 LEU A 53 -2.875 28.501 4.237 1.00 0.00 C ATOM 836 CD2 LEU A 53 -3.198 27.405 2.013 1.00 0.00 C ATOM 0 H LEU A 53 -3.514 24.480 2.797 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.713 24.304 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.294 26.642 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.573 25.832 2.947 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.098 26.800 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.652 29.219 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.884 28.334 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.903 28.893 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.969 28.140 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.234 27.768 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.436 26.463 1.519 1.00 0.00 H new ATOM 848 N GLY A 54 -2.658 26.184 6.685 1.00 0.00 N ATOM 849 CA GLY A 54 -3.271 26.654 7.914 1.00 0.00 C ATOM 850 C GLY A 54 -2.489 26.247 9.148 1.00 0.00 C ATOM 851 O GLY A 54 -3.072 25.972 10.197 1.00 0.00 O ATOM 0 H GLY A 54 -1.720 26.545 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.353 27.740 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.285 26.260 7.984 1.00 0.00 H new ATOM 855 N ASN A 55 -1.167 26.210 9.024 1.00 0.00 N ATOM 856 CA ASN A 55 -0.303 25.836 10.138 1.00 0.00 C ATOM 857 C ASN A 55 -0.598 24.414 10.605 1.00 0.00 C ATOM 858 O ASN A 55 -1.696 23.897 10.400 1.00 0.00 O ATOM 859 CB ASN A 55 -0.485 26.813 11.300 1.00 0.00 C ATOM 860 CG ASN A 55 0.403 28.035 11.172 1.00 0.00 C ATOM 861 OD1 ASN A 55 0.539 28.607 10.090 1.00 0.00 O ATOM 862 ND2 ASN A 55 1.014 28.442 12.278 1.00 0.00 N ATOM 0 H ASN A 55 -0.670 26.435 8.162 1.00 0.00 H new ATOM 0 HA ASN A 55 0.730 25.878 9.793 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.527 27.128 11.346 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.264 26.303 12.238 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.625 29.259 12.252 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.873 27.938 13.154 1.00 0.00 H new ATOM 1299 N SER B 102 2.241 -9.696 -5.951 1.00 0.00 N ATOM 1300 CA SER B 102 1.965 -9.643 -4.520 1.00 0.00 C ATOM 1301 C SER B 102 0.478 -9.845 -4.246 1.00 0.00 C ATOM 1302 O SER B 102 -0.266 -8.883 -4.058 1.00 0.00 O ATOM 1303 CB SER B 102 2.433 -8.305 -3.939 1.00 0.00 C ATOM 1304 OG SER B 102 3.277 -8.502 -2.818 1.00 0.00 O ATOM 0 HA SER B 102 2.515 -10.450 -4.036 1.00 0.00 H new ATOM 0 HB2 SER B 102 2.965 -7.739 -4.704 1.00 0.00 H new ATOM 0 HB3 SER B 102 1.568 -7.710 -3.647 1.00 0.00 H new ATOM 0 HG SER B 102 4.208 -8.565 -3.117 1.00 0.00 H new ATOM 1310 N ARG B 103 0.052 -11.104 -4.230 1.00 0.00 N ATOM 1311 CA ARG B 103 -1.348 -11.435 -3.985 1.00 0.00 C ATOM 1312 C ARG B 103 -1.587 -11.747 -2.512 1.00 0.00 C ATOM 1313 O ARG B 103 -0.844 -12.516 -1.901 1.00 0.00 O ATOM 1314 CB ARG B 103 -1.768 -12.628 -4.846 1.00 0.00 C ATOM 1315 CG ARG B 103 -3.263 -12.900 -4.821 1.00 0.00 C ATOM 1316 CD ARG B 103 -3.638 -14.053 -5.739 1.00 0.00 C ATOM 1317 NE ARG B 103 -3.058 -13.905 -7.072 1.00 0.00 N ATOM 1318 CZ ARG B 103 -1.856 -14.362 -7.418 1.00 0.00 C ATOM 1319 NH1 ARG B 103 -1.094 -14.994 -6.531 1.00 0.00 N ATOM 1320 NH2 ARG B 103 -1.412 -14.186 -8.654 1.00 0.00 N ATOM 0 H ARG B 103 0.656 -11.912 -4.384 1.00 0.00 H new ATOM 0 HA ARG B 103 -1.952 -10.569 -4.254 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -1.457 -12.450 -5.875 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -1.240 -13.517 -4.502 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -3.575 -13.129 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -3.802 -12.002 -5.125 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -3.300 -14.991 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -4.723 -14.113 -5.821 1.00 0.00 H new ATOM 0 HE ARG B 103 -3.608 -13.421 -7.782 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -1.429 -15.132 -5.577 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -0.175 -15.341 -6.804 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -1.991 -13.701 -9.340 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -0.491 -14.536 -8.920 1.00 0.00 H new ATOM 1334 N LEU B 104 -2.627 -11.141 -1.945 1.00 0.00 N ATOM 1335 CA LEU B 104 -2.961 -11.354 -0.542 1.00 0.00 C ATOM 1336 C LEU B 104 -4.357 -11.951 -0.392 1.00 0.00 C ATOM 1337 O LEU B 104 -5.297 -11.535 -1.069 1.00 0.00 O ATOM 1338 CB LEU B 104 -2.861 -10.023 0.231 1.00 0.00 C ATOM 1339 CG LEU B 104 -4.148 -9.539 0.920 1.00 0.00 C ATOM 1340 CD1 LEU B 104 -4.263 -10.128 2.320 1.00 0.00 C ATOM 1341 CD2 LEU B 104 -4.186 -8.018 0.976 1.00 0.00 C ATOM 0 H LEU B 104 -3.251 -10.500 -2.435 1.00 0.00 H new ATOM 0 HA LEU B 104 -2.247 -12.064 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -2.084 -10.125 0.989 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -2.531 -9.249 -0.462 1.00 0.00 H new ATOM 0 HG LEU B 104 -4.999 -9.883 0.333 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -5.180 -9.773 2.790 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -4.285 -11.216 2.256 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -3.406 -9.817 2.917 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -5.104 -7.695 1.467 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -3.326 -7.653 1.538 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -4.155 -7.616 -0.037 1.00 0.00 H new ATOM 1353 N THR B 105 -4.491 -12.903 0.522 1.00 0.00 N ATOM 1354 CA THR B 105 -5.782 -13.521 0.787 1.00 0.00 C ATOM 1355 C THR B 105 -6.349 -12.957 2.080 1.00 0.00 C ATOM 1356 O THR B 105 -5.716 -13.041 3.132 1.00 0.00 O ATOM 1357 CB THR B 105 -5.659 -15.040 0.882 1.00 0.00 C ATOM 1358 OG1 THR B 105 -4.978 -15.562 -0.245 1.00 0.00 O ATOM 1359 CG2 THR B 105 -7.002 -15.729 0.972 1.00 0.00 C ATOM 0 H THR B 105 -3.724 -13.263 1.090 1.00 0.00 H new ATOM 0 HA THR B 105 -6.455 -13.295 -0.040 1.00 0.00 H new ATOM 0 HB THR B 105 -5.100 -15.236 1.797 1.00 0.00 H new ATOM 0 HG1 THR B 105 -4.909 -16.536 -0.163 1.00 0.00 H new ATOM 0 HG21 THR B 105 -6.854 -16.807 1.037 1.00 0.00 H new ATOM 0 HG22 THR B 105 -7.531 -15.381 1.859 1.00 0.00 H new ATOM 0 HG23 THR B 105 -7.590 -15.497 0.084 1.00 0.00 H new ATOM 1367 N ILE B 106 -7.525 -12.352 1.995 1.00 0.00 N ATOM 1368 CA ILE B 106 -8.138 -11.741 3.164 1.00 0.00 C ATOM 1369 C ILE B 106 -9.425 -12.440 3.589 1.00 0.00 C ATOM 1370 O ILE B 106 -10.157 -12.973 2.760 1.00 0.00 O ATOM 1371 CB ILE B 106 -8.411 -10.246 2.914 1.00 0.00 C ATOM 1372 CG1 ILE B 106 -8.744 -9.554 4.232 1.00 0.00 C ATOM 1373 CG2 ILE B 106 -9.524 -10.055 1.901 1.00 0.00 C ATOM 1374 CD1 ILE B 106 -8.900 -8.058 4.099 1.00 0.00 C ATOM 0 H ILE B 106 -8.069 -12.272 1.136 1.00 0.00 H new ATOM 0 HA ILE B 106 -7.425 -11.851 3.981 1.00 0.00 H new ATOM 0 HB ILE B 106 -7.512 -9.792 2.498 1.00 0.00 H new ATOM 0 HG12 ILE B 106 -9.667 -9.974 4.632 1.00 0.00 H new ATOM 0 HG13 ILE B 106 -7.957 -9.767 4.955 1.00 0.00 H new ATOM 0 HG21 ILE B 106 -9.695 -8.990 1.745 1.00 0.00 H new ATOM 0 HG22 ILE B 106 -9.240 -10.520 0.957 1.00 0.00 H new ATOM 0 HG23 ILE B 106 -10.438 -10.518 2.273 1.00 0.00 H new ATOM 0 HD11 ILE B 106 -9.136 -7.629 5.073 1.00 0.00 H new ATOM 0 HD12 ILE B 106 -7.970 -7.627 3.728 1.00 0.00 H new ATOM 0 HD13 ILE B 106 -9.707 -7.837 3.400 1.00 0.00 H new ATOM 1386 N ASP B 107 -9.697 -12.425 4.897 1.00 0.00 N ATOM 1387 CA ASP B 107 -10.900 -13.052 5.430 1.00 0.00 C ATOM 1388 C ASP B 107 -11.993 -12.011 5.632 1.00 0.00 C ATOM 1389 O ASP B 107 -11.792 -10.998 6.302 1.00 0.00 O ATOM 1390 CB ASP B 107 -10.594 -13.754 6.755 1.00 0.00 C ATOM 1391 CG ASP B 107 -11.673 -14.742 7.150 1.00 0.00 C ATOM 1392 OD1 ASP B 107 -12.868 -14.394 7.036 1.00 0.00 O ATOM 1393 OD2 ASP B 107 -11.325 -15.864 7.573 1.00 0.00 O ATOM 0 H ASP B 107 -9.101 -11.987 5.599 1.00 0.00 H new ATOM 0 HA ASP B 107 -11.249 -13.795 4.713 1.00 0.00 H new ATOM 0 HB2 ASP B 107 -9.640 -14.275 6.675 1.00 0.00 H new ATOM 0 HB3 ASP B 107 -10.484 -13.007 7.541 1.00 0.00 H new ATOM 1398 N MET B 108 -13.138 -12.264 5.019 1.00 0.00 N ATOM 1399 CA MET B 108 -14.276 -11.355 5.083 1.00 0.00 C ATOM 1400 C MET B 108 -15.556 -12.081 5.471 1.00 0.00 C ATOM 1401 O MET B 108 -15.637 -13.307 5.386 1.00 0.00 O ATOM 1402 CB MET B 108 -14.448 -10.660 3.736 1.00 0.00 C ATOM 1403 CG MET B 108 -13.151 -10.568 2.957 1.00 0.00 C ATOM 1404 SD MET B 108 -11.998 -9.430 3.733 1.00 0.00 S ATOM 1405 CE MET B 108 -12.037 -8.097 2.552 1.00 0.00 C ATOM 0 H MET B 108 -13.307 -13.103 4.464 1.00 0.00 H new ATOM 0 HA MET B 108 -14.077 -10.613 5.856 1.00 0.00 H new ATOM 0 HB2 MET B 108 -15.186 -11.202 3.144 1.00 0.00 H new ATOM 0 HB3 MET B 108 -14.843 -9.657 3.897 1.00 0.00 H new ATOM 0 HG2 MET B 108 -12.697 -11.556 2.886 1.00 0.00 H new ATOM 0 HG3 MET B 108 -13.359 -10.239 1.939 1.00 0.00 H new ATOM 0 HE1 MET B 108 -11.023 -7.879 2.216 1.00 0.00 H new ATOM 0 HE2 MET B 108 -12.649 -8.386 1.697 1.00 0.00 H new ATOM 0 HE3 MET B 108 -12.463 -7.209 3.019 1.00 0.00 H new ATOM 1415 N THR B 109 -16.558 -11.316 5.884 1.00 0.00 N ATOM 1416 CA THR B 109 -17.840 -11.885 6.268 1.00 0.00 C ATOM 1417 C THR B 109 -18.699 -12.125 5.028 1.00 0.00 C ATOM 1418 O THR B 109 -18.433 -11.573 3.961 1.00 0.00 O ATOM 1419 CB THR B 109 -18.562 -10.961 7.252 1.00 0.00 C ATOM 1420 OG1 THR B 109 -17.852 -9.747 7.416 1.00 0.00 O ATOM 1421 CG2 THR B 109 -18.732 -11.576 8.621 1.00 0.00 C ATOM 0 H THR B 109 -16.506 -10.300 5.961 1.00 0.00 H new ATOM 0 HA THR B 109 -17.666 -12.841 6.762 1.00 0.00 H new ATOM 0 HB THR B 109 -19.546 -10.786 6.818 1.00 0.00 H new ATOM 0 HG1 THR B 109 -18.323 -9.177 8.059 1.00 0.00 H new ATOM 0 HG21 THR B 109 -19.250 -10.873 9.274 1.00 0.00 H new ATOM 0 HG22 THR B 109 -19.316 -12.493 8.538 1.00 0.00 H new ATOM 0 HG23 THR B 109 -17.753 -11.806 9.041 1.00 0.00 H new ATOM 1429 N ASP B 110 -19.705 -12.977 5.169 1.00 0.00 N ATOM 1430 CA ASP B 110 -20.583 -13.327 4.056 1.00 0.00 C ATOM 1431 C ASP B 110 -21.422 -12.147 3.562 1.00 0.00 C ATOM 1432 O ASP B 110 -21.602 -11.975 2.357 1.00 0.00 O ATOM 1433 CB ASP B 110 -21.505 -14.477 4.463 1.00 0.00 C ATOM 1434 CG ASP B 110 -20.896 -15.835 4.178 1.00 0.00 C ATOM 1435 OD1 ASP B 110 -20.030 -15.921 3.282 1.00 0.00 O ATOM 1436 OD2 ASP B 110 -21.285 -16.814 4.850 1.00 0.00 O ATOM 0 H ASP B 110 -19.936 -13.442 6.047 1.00 0.00 H new ATOM 0 HA ASP B 110 -19.939 -13.630 3.230 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -21.731 -14.399 5.527 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -22.451 -14.387 3.929 1.00 0.00 H new ATOM 1441 N GLN B 111 -21.966 -11.361 4.484 1.00 0.00 N ATOM 1442 CA GLN B 111 -22.819 -10.233 4.107 1.00 0.00 C ATOM 1443 C GLN B 111 -22.045 -9.104 3.421 1.00 0.00 C ATOM 1444 O GLN B 111 -22.451 -8.623 2.366 1.00 0.00 O ATOM 1445 CB GLN B 111 -23.539 -9.688 5.341 1.00 0.00 C ATOM 1446 CG GLN B 111 -22.600 -9.181 6.424 1.00 0.00 C ATOM 1447 CD GLN B 111 -23.328 -8.809 7.700 1.00 0.00 C ATOM 1448 OE1 GLN B 111 -24.192 -9.548 8.174 1.00 0.00 O ATOM 1449 NE2 GLN B 111 -22.983 -7.657 8.264 1.00 0.00 N ATOM 0 H GLN B 111 -21.836 -11.479 5.489 1.00 0.00 H new ATOM 0 HA GLN B 111 -23.542 -10.611 3.385 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -24.199 -8.876 5.036 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -24.170 -10.473 5.758 1.00 0.00 H new ATOM 0 HG2 GLN B 111 -21.858 -9.948 6.644 1.00 0.00 H new ATOM 0 HG3 GLN B 111 -22.059 -8.311 6.052 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -22.262 -7.076 7.837 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -23.439 -7.354 9.124 1.00 0.00 H new ATOM 1458 N GLN B 112 -20.948 -8.667 4.026 1.00 0.00 N ATOM 1459 CA GLN B 112 -20.154 -7.577 3.457 1.00 0.00 C ATOM 1460 C GLN B 112 -19.485 -7.968 2.137 1.00 0.00 C ATOM 1461 O GLN B 112 -19.560 -7.232 1.154 1.00 0.00 O ATOM 1462 CB GLN B 112 -19.102 -7.088 4.457 1.00 0.00 C ATOM 1463 CG GLN B 112 -18.437 -8.193 5.255 1.00 0.00 C ATOM 1464 CD GLN B 112 -16.934 -8.017 5.346 1.00 0.00 C ATOM 1465 OE1 GLN B 112 -16.362 -8.012 6.436 1.00 0.00 O ATOM 1466 NE2 GLN B 112 -16.285 -7.871 4.197 1.00 0.00 N ATOM 0 H GLN B 112 -20.587 -9.044 4.902 1.00 0.00 H new ATOM 0 HA GLN B 112 -20.848 -6.764 3.243 1.00 0.00 H new ATOM 0 HB2 GLN B 112 -18.334 -6.534 3.917 1.00 0.00 H new ATOM 0 HB3 GLN B 112 -19.573 -6.389 5.149 1.00 0.00 H new ATOM 0 HG2 GLN B 112 -18.859 -8.216 6.260 1.00 0.00 H new ATOM 0 HG3 GLN B 112 -18.660 -9.155 4.794 1.00 0.00 H new ATOM 0 HE21 GLN B 112 -16.799 -7.881 3.316 1.00 0.00 H new ATOM 0 HE22 GLN B 112 -15.272 -7.749 4.195 1.00 0.00 H new ATOM 1475 N HIS B 113 -18.813 -9.114 2.127 1.00 0.00 N ATOM 1476 CA HIS B 113 -18.105 -9.583 0.935 1.00 0.00 C ATOM 1477 C HIS B 113 -18.992 -9.589 -0.307 1.00 0.00 C ATOM 1478 O HIS B 113 -18.531 -9.277 -1.396 1.00 0.00 O ATOM 1479 CB HIS B 113 -17.542 -10.986 1.167 1.00 0.00 C ATOM 1480 CG HIS B 113 -16.503 -11.393 0.164 1.00 0.00 C ATOM 1481 ND1 HIS B 113 -15.792 -12.572 0.258 1.00 0.00 N ATOM 1482 CD2 HIS B 113 -16.054 -10.777 -0.959 1.00 0.00 C ATOM 1483 CE1 HIS B 113 -14.953 -12.662 -0.758 1.00 0.00 C ATOM 1484 NE2 HIS B 113 -15.093 -11.588 -1.511 1.00 0.00 N ATOM 0 H HIS B 113 -18.742 -9.738 2.931 1.00 0.00 H new ATOM 0 HA HIS B 113 -17.291 -8.881 0.757 1.00 0.00 H new ATOM 0 HB2 HIS B 113 -17.108 -11.033 2.166 1.00 0.00 H new ATOM 0 HB3 HIS B 113 -18.361 -11.705 1.141 1.00 0.00 H new ATOM 0 HD2 HIS B 113 -16.390 -9.826 -1.346 1.00 0.00 H new ATOM 0 HE1 HIS B 113 -14.268 -13.477 -0.941 1.00 0.00 H new ATOM 0 HE2 HIS B 113 -14.572 -11.392 -2.365 1.00 0.00 H new ATOM 1493 N GLN B 114 -20.258 -9.945 -0.146 1.00 0.00 N ATOM 1494 CA GLN B 114 -21.179 -9.992 -1.273 1.00 0.00 C ATOM 1495 C GLN B 114 -21.525 -8.590 -1.734 1.00 0.00 C ATOM 1496 O GLN B 114 -21.713 -8.342 -2.924 1.00 0.00 O ATOM 1497 CB GLN B 114 -22.455 -10.749 -0.898 1.00 0.00 C ATOM 1498 CG GLN B 114 -23.209 -10.142 0.272 1.00 0.00 C ATOM 1499 CD GLN B 114 -24.674 -10.535 0.288 1.00 0.00 C ATOM 1500 OE1 GLN B 114 -25.191 -11.090 -0.682 1.00 0.00 O ATOM 1501 NE2 GLN B 114 -25.351 -10.249 1.394 1.00 0.00 N ATOM 0 H GLN B 114 -20.670 -10.205 0.750 1.00 0.00 H new ATOM 0 HA GLN B 114 -20.688 -10.521 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN B 114 -23.115 -10.781 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN B 114 -22.196 -11.780 -0.655 1.00 0.00 H new ATOM 0 HG2 GLN B 114 -22.741 -10.458 1.204 1.00 0.00 H new ATOM 0 HG3 GLN B 114 -23.128 -9.056 0.227 1.00 0.00 H new ATOM 0 HE21 GLN B 114 -24.882 -9.788 2.174 1.00 0.00 H new ATOM 0 HE22 GLN B 114 -26.340 -10.490 1.464 1.00 0.00 H new ATOM 1510 N SER B 115 -21.606 -7.676 -0.782 1.00 0.00 N ATOM 1511 CA SER B 115 -21.928 -6.295 -1.087 1.00 0.00 C ATOM 1512 C SER B 115 -20.876 -5.689 -2.013 1.00 0.00 C ATOM 1513 O SER B 115 -21.205 -5.077 -3.029 1.00 0.00 O ATOM 1514 CB SER B 115 -22.032 -5.475 0.201 1.00 0.00 C ATOM 1515 OG SER B 115 -23.359 -5.027 0.414 1.00 0.00 O ATOM 0 H SER B 115 -21.453 -7.867 0.208 1.00 0.00 H new ATOM 0 HA SER B 115 -22.892 -6.273 -1.596 1.00 0.00 H new ATOM 0 HB2 SER B 115 -21.709 -6.080 1.048 1.00 0.00 H new ATOM 0 HB3 SER B 115 -21.360 -4.619 0.146 1.00 0.00 H new ATOM 0 HG SER B 115 -23.400 -4.507 1.244 1.00 0.00 H new ATOM 1521 N LEU B 116 -19.610 -5.869 -1.650 1.00 0.00 N ATOM 1522 CA LEU B 116 -18.501 -5.345 -2.435 1.00 0.00 C ATOM 1523 C LEU B 116 -18.170 -6.251 -3.614 1.00 0.00 C ATOM 1524 O LEU B 116 -17.900 -5.770 -4.714 1.00 0.00 O ATOM 1525 CB LEU B 116 -17.268 -5.137 -1.556 1.00 0.00 C ATOM 1526 CG LEU B 116 -16.888 -3.673 -1.340 1.00 0.00 C ATOM 1527 CD1 LEU B 116 -17.687 -3.065 -0.198 1.00 0.00 C ATOM 1528 CD2 LEU B 116 -15.396 -3.541 -1.087 1.00 0.00 C ATOM 0 H LEU B 116 -19.327 -6.377 -0.812 1.00 0.00 H new ATOM 0 HA LEU B 116 -18.810 -4.380 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -17.446 -5.601 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -16.423 -5.657 -2.008 1.00 0.00 H new ATOM 0 HG LEU B 116 -17.131 -3.121 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -17.397 -2.023 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -18.751 -3.119 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -17.487 -3.617 0.720 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -15.144 -2.491 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -15.126 -4.111 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -14.846 -3.926 -1.946 1.00 0.00 H new ATOM 1540 N LYS B 117 -18.202 -7.563 -3.393 1.00 0.00 N ATOM 1541 CA LYS B 117 -17.913 -8.507 -4.468 1.00 0.00 C ATOM 1542 C LYS B 117 -18.902 -8.290 -5.612 1.00 0.00 C ATOM 1543 O LYS B 117 -18.536 -8.294 -6.786 1.00 0.00 O ATOM 1544 CB LYS B 117 -18.004 -9.948 -3.951 1.00 0.00 C ATOM 1545 CG LYS B 117 -17.242 -10.960 -4.789 1.00 0.00 C ATOM 1546 CD LYS B 117 -17.760 -11.010 -6.214 1.00 0.00 C ATOM 1547 CE LYS B 117 -16.808 -10.308 -7.168 1.00 0.00 C ATOM 1548 NZ LYS B 117 -17.469 -9.955 -8.455 1.00 0.00 N ATOM 0 H LYS B 117 -18.422 -7.991 -2.494 1.00 0.00 H new ATOM 0 HA LYS B 117 -16.900 -8.338 -4.832 1.00 0.00 H new ATOM 0 HB2 LYS B 117 -17.625 -9.980 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS B 117 -19.053 -10.242 -3.911 1.00 0.00 H new ATOM 0 HG2 LYS B 117 -16.183 -10.704 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS B 117 -17.328 -11.947 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS B 117 -17.888 -12.048 -6.521 1.00 0.00 H new ATOM 0 HD3 LYS B 117 -18.742 -10.540 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS B 117 -16.424 -9.403 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS B 117 -15.951 -10.952 -7.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 -16.750 -9.651 -9.142 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 -17.973 -10.786 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 -18.146 -9.182 -8.297 1.00 0.00 H new ATOM 1562 N ALA B 118 -20.162 -8.105 -5.240 1.00 0.00 N ATOM 1563 CA ALA B 118 -21.242 -7.887 -6.196 1.00 0.00 C ATOM 1564 C ALA B 118 -21.103 -6.569 -6.943 1.00 0.00 C ATOM 1565 O ALA B 118 -21.260 -6.513 -8.162 1.00 0.00 O ATOM 1566 CB ALA B 118 -22.565 -7.879 -5.454 1.00 0.00 C ATOM 0 H ALA B 118 -20.465 -8.102 -4.266 1.00 0.00 H new ATOM 0 HA ALA B 118 -21.197 -8.695 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -23.378 -7.716 -6.162 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -22.707 -8.836 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -22.562 -7.078 -4.714 1.00 0.00 H new ATOM 1572 N LEU B 119 -20.838 -5.508 -6.197 1.00 0.00 N ATOM 1573 CA LEU B 119 -20.713 -4.184 -6.776 1.00 0.00 C ATOM 1574 C LEU B 119 -19.440 -4.055 -7.607 1.00 0.00 C ATOM 1575 O LEU B 119 -19.418 -3.346 -8.613 1.00 0.00 O ATOM 1576 CB LEU B 119 -20.799 -3.129 -5.680 1.00 0.00 C ATOM 1577 CG LEU B 119 -19.473 -2.624 -5.157 1.00 0.00 C ATOM 1578 CD1 LEU B 119 -19.040 -1.368 -5.898 1.00 0.00 C ATOM 1579 CD2 LEU B 119 -19.579 -2.371 -3.665 1.00 0.00 C ATOM 0 H LEU B 119 -20.705 -5.541 -5.186 1.00 0.00 H new ATOM 0 HA LEU B 119 -21.543 -4.021 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU B 119 -21.367 -2.280 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU B 119 -21.365 -3.542 -4.845 1.00 0.00 H new ATOM 0 HG LEU B 119 -18.710 -3.383 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU B 119 -18.084 -1.024 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU B 119 -18.936 -1.590 -6.960 1.00 0.00 H new ATOM 0 HD13 LEU B 119 -19.790 -0.589 -5.762 1.00 0.00 H new ATOM 0 HD21 LEU B 119 -18.623 -2.007 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU B 119 -20.351 -1.625 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU B 119 -19.840 -3.299 -3.156 1.00 0.00 H new ATOM 1591 N ALA B 120 -18.391 -4.764 -7.206 1.00 0.00 N ATOM 1592 CA ALA B 120 -17.137 -4.739 -7.947 1.00 0.00 C ATOM 1593 C ALA B 120 -17.390 -5.155 -9.393 1.00 0.00 C ATOM 1594 O ALA B 120 -16.796 -4.612 -10.323 1.00 0.00 O ATOM 1595 CB ALA B 120 -16.126 -5.673 -7.306 1.00 0.00 C ATOM 0 H ALA B 120 -18.384 -5.359 -6.378 1.00 0.00 H new ATOM 0 HA ALA B 120 -16.733 -3.727 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -15.194 -5.644 -7.871 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -15.938 -5.357 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -16.519 -6.690 -7.307 1.00 0.00 H new ATOM 1601 N ALA B 121 -18.300 -6.114 -9.563 1.00 0.00 N ATOM 1602 CA ALA B 121 -18.669 -6.606 -10.879 1.00 0.00 C ATOM 1603 C ALA B 121 -19.489 -5.568 -11.627 1.00 0.00 C ATOM 1604 O ALA B 121 -19.447 -5.487 -12.854 1.00 0.00 O ATOM 1605 CB ALA B 121 -19.447 -7.907 -10.753 1.00 0.00 C ATOM 0 H ALA B 121 -18.796 -6.565 -8.795 1.00 0.00 H new ATOM 0 HA ALA B 121 -17.758 -6.796 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA B 121 -19.718 -8.266 -11.746 1.00 0.00 H new ATOM 0 HB2 ALA B 121 -18.829 -8.653 -10.253 1.00 0.00 H new ATOM 0 HB3 ALA B 121 -20.352 -7.735 -10.170 1.00 0.00 H new ATOM 1611 N LEU B 122 -20.242 -4.782 -10.870 1.00 0.00 N ATOM 1612 CA LEU B 122 -21.090 -3.749 -11.441 1.00 0.00 C ATOM 1613 C LEU B 122 -20.262 -2.629 -12.067 1.00 0.00 C ATOM 1614 O LEU B 122 -20.763 -1.868 -12.897 1.00 0.00 O ATOM 1615 CB LEU B 122 -22.016 -3.180 -10.365 1.00 0.00 C ATOM 1616 CG LEU B 122 -23.077 -4.150 -9.842 1.00 0.00 C ATOM 1617 CD1 LEU B 122 -24.053 -3.431 -8.925 1.00 0.00 C ATOM 1618 CD2 LEU B 122 -23.815 -4.811 -10.998 1.00 0.00 C ATOM 0 H LEU B 122 -20.282 -4.842 -9.853 1.00 0.00 H new ATOM 0 HA LEU B 122 -21.688 -4.203 -12.231 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -21.408 -2.844 -9.525 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -22.518 -2.300 -10.768 1.00 0.00 H new ATOM 0 HG LEU B 122 -22.576 -4.928 -9.266 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -24.800 -4.137 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -23.513 -3.009 -8.078 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -24.547 -2.631 -9.476 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -24.565 -5.497 -10.606 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -24.303 -4.047 -11.603 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -23.106 -5.363 -11.614 1.00 0.00 H new ATOM 1630 N GLN B 123 -18.999 -2.524 -11.667 1.00 0.00 N ATOM 1631 CA GLN B 123 -18.116 -1.489 -12.193 1.00 0.00 C ATOM 1632 C GLN B 123 -17.277 -2.011 -13.356 1.00 0.00 C ATOM 1633 O GLN B 123 -16.158 -1.552 -13.582 1.00 0.00 O ATOM 1634 CB GLN B 123 -17.200 -0.963 -11.086 1.00 0.00 C ATOM 1635 CG GLN B 123 -17.949 -0.490 -9.850 1.00 0.00 C ATOM 1636 CD GLN B 123 -18.793 0.742 -10.115 1.00 0.00 C ATOM 1637 OE1 GLN B 123 -20.013 0.722 -9.943 1.00 0.00 O ATOM 1638 NE2 GLN B 123 -18.147 1.821 -10.538 1.00 0.00 N ATOM 0 H GLN B 123 -18.564 -3.142 -10.982 1.00 0.00 H new ATOM 0 HA GLN B 123 -18.740 -0.676 -12.563 1.00 0.00 H new ATOM 0 HB2 GLN B 123 -16.502 -1.750 -10.799 1.00 0.00 H new ATOM 0 HB3 GLN B 123 -16.606 -0.138 -11.479 1.00 0.00 H new ATOM 0 HG2 GLN B 123 -18.590 -1.294 -9.488 1.00 0.00 H new ATOM 0 HG3 GLN B 123 -17.233 -0.272 -9.057 1.00 0.00 H new ATOM 0 HE21 GLN B 123 -17.136 1.792 -10.666 1.00 0.00 H new ATOM 0 HE22 GLN B 123 -18.662 2.679 -10.735 1.00 0.00 H new ATOM 1647 N GLY B 124 -17.826 -2.970 -14.097 1.00 0.00 N ATOM 1648 CA GLY B 124 -17.113 -3.533 -15.231 1.00 0.00 C ATOM 1649 C GLY B 124 -15.765 -4.113 -14.848 1.00 0.00 C ATOM 1650 O GLY B 124 -14.855 -4.181 -15.673 1.00 0.00 O ATOM 0 H GLY B 124 -18.751 -3.367 -13.933 1.00 0.00 H new ATOM 0 HA2 GLY B 124 -17.723 -4.313 -15.687 1.00 0.00 H new ATOM 0 HA3 GLY B 124 -16.970 -2.759 -15.985 1.00 0.00 H new ATOM 1654 N LYS B 125 -15.639 -4.536 -13.595 1.00 0.00 N ATOM 1655 CA LYS B 125 -14.393 -5.115 -13.105 1.00 0.00 C ATOM 1656 C LYS B 125 -14.666 -6.099 -11.972 1.00 0.00 C ATOM 1657 O LYS B 125 -15.816 -6.398 -11.666 1.00 0.00 O ATOM 1658 CB LYS B 125 -13.443 -4.012 -12.630 1.00 0.00 C ATOM 1659 CG LYS B 125 -14.113 -2.962 -11.758 1.00 0.00 C ATOM 1660 CD LYS B 125 -13.411 -1.618 -11.871 1.00 0.00 C ATOM 1661 CE LYS B 125 -13.969 -0.610 -10.878 1.00 0.00 C ATOM 1662 NZ LYS B 125 -12.892 0.204 -10.251 1.00 0.00 N ATOM 0 H LYS B 125 -16.384 -4.489 -12.900 1.00 0.00 H new ATOM 0 HA LYS B 125 -13.921 -5.655 -13.926 1.00 0.00 H new ATOM 0 HB2 LYS B 125 -12.624 -4.466 -12.072 1.00 0.00 H new ATOM 0 HB3 LYS B 125 -13.004 -3.523 -13.500 1.00 0.00 H new ATOM 0 HG2 LYS B 125 -15.157 -2.855 -12.052 1.00 0.00 H new ATOM 0 HG3 LYS B 125 -14.107 -3.291 -10.719 1.00 0.00 H new ATOM 0 HD2 LYS B 125 -12.343 -1.749 -11.696 1.00 0.00 H new ATOM 0 HD3 LYS B 125 -13.523 -1.232 -12.884 1.00 0.00 H new ATOM 0 HE2 LYS B 125 -14.673 0.049 -11.386 1.00 0.00 H new ATOM 0 HE3 LYS B 125 -14.526 -1.135 -10.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 125 -13.313 0.879 -9.581 1.00 0.00 H new ATOM 0 HZ2 LYS B 125 -12.234 -0.422 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 125 -12.376 0.725 -10.989 1.00 0.00 H new ATOM 1676 N THR B 126 -13.606 -6.603 -11.354 1.00 0.00 N ATOM 1677 CA THR B 126 -13.743 -7.555 -10.257 1.00 0.00 C ATOM 1678 C THR B 126 -13.320 -6.915 -8.936 1.00 0.00 C ATOM 1679 O THR B 126 -12.566 -5.943 -8.928 1.00 0.00 O ATOM 1680 CB THR B 126 -12.897 -8.798 -10.540 1.00 0.00 C ATOM 1681 OG1 THR B 126 -13.065 -9.769 -9.522 1.00 0.00 O ATOM 1682 CG2 THR B 126 -11.419 -8.499 -10.659 1.00 0.00 C ATOM 0 H THR B 126 -12.642 -6.369 -11.593 1.00 0.00 H new ATOM 0 HA THR B 126 -14.790 -7.849 -10.175 1.00 0.00 H new ATOM 0 HB THR B 126 -13.252 -9.176 -11.499 1.00 0.00 H new ATOM 0 HG1 THR B 126 -12.647 -10.611 -9.800 1.00 0.00 H new ATOM 0 HG21 THR B 126 -10.876 -9.423 -10.860 1.00 0.00 H new ATOM 0 HG22 THR B 126 -11.255 -7.796 -11.476 1.00 0.00 H new ATOM 0 HG23 THR B 126 -11.060 -8.062 -9.727 1.00 0.00 H new ATOM 1690 N ILE B 127 -13.809 -7.457 -7.821 1.00 0.00 N ATOM 1691 CA ILE B 127 -13.468 -6.918 -6.506 1.00 0.00 C ATOM 1692 C ILE B 127 -11.957 -6.836 -6.329 1.00 0.00 C ATOM 1693 O ILE B 127 -11.452 -5.946 -5.644 1.00 0.00 O ATOM 1694 CB ILE B 127 -14.078 -7.751 -5.360 1.00 0.00 C ATOM 1695 CG1 ILE B 127 -13.702 -7.140 -4.004 1.00 0.00 C ATOM 1696 CG2 ILE B 127 -13.628 -9.198 -5.457 1.00 0.00 C ATOM 1697 CD1 ILE B 127 -13.851 -8.079 -2.829 1.00 0.00 C ATOM 0 H ILE B 127 -14.436 -8.261 -7.802 1.00 0.00 H new ATOM 0 HA ILE B 127 -13.894 -5.916 -6.458 1.00 0.00 H new ATOM 0 HB ILE B 127 -15.164 -7.734 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE B 127 -12.669 -6.796 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE B 127 -14.323 -6.261 -3.831 1.00 0.00 H new ATOM 0 HG21 ILE B 127 -14.068 -9.771 -4.641 1.00 0.00 H new ATOM 0 HG22 ILE B 127 -13.952 -9.617 -6.410 1.00 0.00 H new ATOM 0 HG23 ILE B 127 -12.541 -9.246 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE B 127 -13.564 -7.564 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE B 127 -14.889 -8.404 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE B 127 -13.208 -8.947 -2.973 1.00 0.00 H new ATOM 1709 N LYS B 128 -11.236 -7.746 -6.974 1.00 0.00 N ATOM 1710 CA LYS B 128 -9.778 -7.739 -6.899 1.00 0.00 C ATOM 1711 C LYS B 128 -9.247 -6.426 -7.473 1.00 0.00 C ATOM 1712 O LYS B 128 -8.090 -6.063 -7.266 1.00 0.00 O ATOM 1713 CB LYS B 128 -9.156 -8.931 -7.648 1.00 0.00 C ATOM 1714 CG LYS B 128 -10.115 -10.073 -7.941 1.00 0.00 C ATOM 1715 CD LYS B 128 -10.845 -10.536 -6.691 1.00 0.00 C ATOM 1716 CE LYS B 128 -10.443 -11.948 -6.311 1.00 0.00 C ATOM 1717 NZ LYS B 128 -11.223 -12.971 -7.061 1.00 0.00 N ATOM 0 H LYS B 128 -11.631 -8.491 -7.549 1.00 0.00 H new ATOM 0 HA LYS B 128 -9.494 -7.831 -5.851 1.00 0.00 H new ATOM 0 HB2 LYS B 128 -8.741 -8.573 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS B 128 -8.323 -9.317 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS B 128 -10.842 -9.754 -8.688 1.00 0.00 H new ATOM 0 HG3 LYS B 128 -9.563 -10.909 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS B 128 -10.625 -9.858 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS B 128 -11.921 -10.494 -6.859 1.00 0.00 H new ATOM 0 HE2 LYS B 128 -9.380 -12.087 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS B 128 -10.592 -12.092 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 128 -10.917 -13.922 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 128 -12.236 -12.855 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS B 128 -11.062 -12.851 -8.081 1.00 0.00 H new ATOM 1731 N GLN B 129 -10.118 -5.717 -8.190 1.00 0.00 N ATOM 1732 CA GLN B 129 -9.781 -4.439 -8.797 1.00 0.00 C ATOM 1733 C GLN B 129 -10.390 -3.299 -8.003 1.00 0.00 C ATOM 1734 O GLN B 129 -9.692 -2.422 -7.494 1.00 0.00 O ATOM 1735 CB GLN B 129 -10.333 -4.374 -10.220 1.00 0.00 C ATOM 1736 CG GLN B 129 -9.406 -3.693 -11.213 1.00 0.00 C ATOM 1737 CD GLN B 129 -8.808 -2.408 -10.675 1.00 0.00 C ATOM 1738 OE1 GLN B 129 -9.358 -1.324 -10.870 1.00 0.00 O ATOM 1739 NE2 GLN B 129 -7.675 -2.523 -9.992 1.00 0.00 N ATOM 0 H GLN B 129 -11.077 -6.017 -8.364 1.00 0.00 H new ATOM 0 HA GLN B 129 -8.695 -4.347 -8.807 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -10.538 -5.387 -10.566 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -11.285 -3.844 -10.205 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -8.602 -4.378 -11.481 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -9.958 -3.476 -12.128 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -7.254 -3.442 -9.854 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -7.226 -1.693 -9.605 1.00 0.00 H new ATOM 1748 N TYR B 130 -11.715 -3.313 -7.938 1.00 0.00 N ATOM 1749 CA TYR B 130 -12.466 -2.282 -7.249 1.00 0.00 C ATOM 1750 C TYR B 130 -12.079 -2.182 -5.771 1.00 0.00 C ATOM 1751 O TYR B 130 -11.754 -1.100 -5.282 1.00 0.00 O ATOM 1752 CB TYR B 130 -13.959 -2.579 -7.386 1.00 0.00 C ATOM 1753 CG TYR B 130 -14.801 -1.935 -6.324 1.00 0.00 C ATOM 1754 CD1 TYR B 130 -14.947 -0.559 -6.273 1.00 0.00 C ATOM 1755 CD2 TYR B 130 -15.444 -2.704 -5.373 1.00 0.00 C ATOM 1756 CE1 TYR B 130 -15.718 0.039 -5.297 1.00 0.00 C ATOM 1757 CE2 TYR B 130 -16.218 -2.120 -4.393 1.00 0.00 C ATOM 1758 CZ TYR B 130 -16.353 -0.747 -4.358 1.00 0.00 C ATOM 1759 OH TYR B 130 -17.125 -0.159 -3.381 1.00 0.00 O ATOM 0 H TYR B 130 -12.294 -4.038 -8.361 1.00 0.00 H new ATOM 0 HA TYR B 130 -12.230 -1.321 -7.707 1.00 0.00 H new ATOM 0 HB2 TYR B 130 -14.300 -2.239 -8.364 1.00 0.00 H new ATOM 0 HB3 TYR B 130 -14.111 -3.658 -7.353 1.00 0.00 H new ATOM 0 HD1 TYR B 130 -14.450 0.056 -7.009 1.00 0.00 H new ATOM 0 HD2 TYR B 130 -15.339 -3.779 -5.398 1.00 0.00 H new ATOM 0 HE1 TYR B 130 -15.823 1.113 -5.269 1.00 0.00 H new ATOM 0 HE2 TYR B 130 -16.716 -2.734 -3.657 1.00 0.00 H new ATOM 0 HH TYR B 130 -17.510 0.674 -3.726 1.00 0.00 H new ATOM 1769 N ALA B 131 -12.099 -3.311 -5.069 1.00 0.00 N ATOM 1770 CA ALA B 131 -11.735 -3.339 -3.659 1.00 0.00 C ATOM 1771 C ALA B 131 -10.270 -3.016 -3.495 1.00 0.00 C ATOM 1772 O ALA B 131 -9.864 -2.325 -2.562 1.00 0.00 O ATOM 1773 CB ALA B 131 -12.058 -4.691 -3.053 1.00 0.00 C ATOM 0 H ALA B 131 -12.364 -4.217 -5.455 1.00 0.00 H new ATOM 0 HA ALA B 131 -12.318 -2.584 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA B 131 -11.779 -4.693 -1.999 1.00 0.00 H new ATOM 0 HB2 ALA B 131 -13.126 -4.886 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA B 131 -11.501 -5.467 -3.577 1.00 0.00 H new ATOM 1779 N LEU B 132 -9.481 -3.533 -4.418 1.00 0.00 N ATOM 1780 CA LEU B 132 -8.053 -3.322 -4.405 1.00 0.00 C ATOM 1781 C LEU B 132 -7.719 -1.838 -4.487 1.00 0.00 C ATOM 1782 O LEU B 132 -6.940 -1.321 -3.689 1.00 0.00 O ATOM 1783 CB LEU B 132 -7.420 -4.067 -5.575 1.00 0.00 C ATOM 1784 CG LEU B 132 -5.959 -3.707 -5.879 1.00 0.00 C ATOM 1785 CD1 LEU B 132 -5.025 -4.808 -5.400 1.00 0.00 C ATOM 1786 CD2 LEU B 132 -5.770 -3.455 -7.369 1.00 0.00 C ATOM 0 H LEU B 132 -9.813 -4.108 -5.192 1.00 0.00 H new ATOM 0 HA LEU B 132 -7.652 -3.706 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -7.478 -5.137 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -8.015 -3.877 -6.468 1.00 0.00 H new ATOM 0 HG LEU B 132 -5.712 -2.791 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -3.994 -4.534 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -5.139 -4.940 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -5.271 -5.741 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -4.728 -3.201 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -6.036 -4.353 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -6.410 -2.630 -7.683 1.00 0.00 H new ATOM 1798 N GLU B 133 -8.306 -1.165 -5.468 1.00 0.00 N ATOM 1799 CA GLU B 133 -8.060 0.255 -5.679 1.00 0.00 C ATOM 1800 C GLU B 133 -8.398 1.076 -4.443 1.00 0.00 C ATOM 1801 O GLU B 133 -7.821 2.140 -4.222 1.00 0.00 O ATOM 1802 CB GLU B 133 -8.860 0.760 -6.880 1.00 0.00 C ATOM 1803 CG GLU B 133 -8.160 0.541 -8.211 1.00 0.00 C ATOM 1804 CD GLU B 133 -7.448 1.784 -8.706 1.00 0.00 C ATOM 1805 OE1 GLU B 133 -6.606 2.324 -7.956 1.00 0.00 O ATOM 1806 OE2 GLU B 133 -7.730 2.219 -9.842 1.00 0.00 O ATOM 0 H GLU B 133 -8.958 -1.582 -6.132 1.00 0.00 H new ATOM 0 HA GLU B 133 -6.995 0.377 -5.879 1.00 0.00 H new ATOM 0 HB2 GLU B 133 -9.827 0.257 -6.900 1.00 0.00 H new ATOM 0 HB3 GLU B 133 -9.057 1.824 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU B 133 -7.439 -0.270 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU B 133 -8.892 0.225 -8.955 1.00 0.00 H new ATOM 1813 N ARG B 134 -9.328 0.586 -3.638 1.00 0.00 N ATOM 1814 CA ARG B 134 -9.718 1.298 -2.427 1.00 0.00 C ATOM 1815 C ARG B 134 -8.534 1.417 -1.480 1.00 0.00 C ATOM 1816 O ARG B 134 -8.376 2.423 -0.789 1.00 0.00 O ATOM 1817 CB ARG B 134 -10.896 0.608 -1.743 1.00 0.00 C ATOM 1818 CG ARG B 134 -12.229 1.259 -2.064 1.00 0.00 C ATOM 1819 CD ARG B 134 -12.773 0.776 -3.397 1.00 0.00 C ATOM 1820 NE ARG B 134 -12.061 1.367 -4.527 1.00 0.00 N ATOM 1821 CZ ARG B 134 -12.301 2.588 -4.999 1.00 0.00 C ATOM 1822 NH1 ARG B 134 -13.232 3.353 -4.442 1.00 0.00 N ATOM 1823 NH2 ARG B 134 -11.606 3.047 -6.031 1.00 0.00 N ATOM 0 H ARG B 134 -9.823 -0.292 -3.797 1.00 0.00 H new ATOM 0 HA ARG B 134 -10.038 2.302 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG B 134 -10.925 -0.438 -2.048 1.00 0.00 H new ATOM 0 HB3 ARG B 134 -10.742 0.621 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG B 134 -12.945 1.034 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG B 134 -12.110 2.342 -2.088 1.00 0.00 H new ATOM 0 HD2 ARG B 134 -12.695 -0.310 -3.448 1.00 0.00 H new ATOM 0 HD3 ARG B 134 -13.832 1.023 -3.467 1.00 0.00 H new ATOM 0 HE ARG B 134 -11.337 0.811 -4.981 1.00 0.00 H new ATOM 0 HH11 ARG B 134 -13.769 3.006 -3.647 1.00 0.00 H new ATOM 0 HH12 ARG B 134 -13.411 4.288 -4.809 1.00 0.00 H new ATOM 0 HH21 ARG B 134 -10.888 2.464 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG B 134 -11.789 3.983 -6.394 1.00 0.00 H new ATOM 1837 N LEU B 135 -7.688 0.395 -1.477 1.00 0.00 N ATOM 1838 CA LEU B 135 -6.497 0.391 -0.655 1.00 0.00 C ATOM 1839 C LEU B 135 -5.426 1.272 -1.288 1.00 0.00 C ATOM 1840 O LEU B 135 -4.482 1.698 -0.623 1.00 0.00 O ATOM 1841 CB LEU B 135 -5.973 -1.035 -0.511 1.00 0.00 C ATOM 1842 CG LEU B 135 -6.487 -1.787 0.714 1.00 0.00 C ATOM 1843 CD1 LEU B 135 -7.157 -3.089 0.302 1.00 0.00 C ATOM 1844 CD2 LEU B 135 -5.349 -2.049 1.692 1.00 0.00 C ATOM 0 H LEU B 135 -7.811 -0.446 -2.041 1.00 0.00 H new ATOM 0 HA LEU B 135 -6.744 0.784 0.331 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.243 -1.598 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -4.884 -1.004 -0.470 1.00 0.00 H new ATOM 0 HG LEU B 135 -7.232 -1.167 1.213 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -7.516 -3.610 1.189 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.998 -2.873 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.438 -3.719 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -5.732 -2.586 2.560 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -4.581 -2.649 1.204 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -4.919 -1.100 2.013 1.00 0.00 H new