USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 849 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 103 ASN : amide:sc= 0.764 K(o=1.6,f=-1.6) USER MOD Set 1.2: A 107 GLN : amide:sc= 0.848 K(o=1.6,f=-0.61) USER MOD Set 2.1: A 67 GLN : amide:sc= -0.412 K(o=-1.6,f=-3.6!) USER MOD Set 2.2: A 71 MET CE :methyl -162:sc= -1.21 (180deg=-1.66) USER MOD Set 3.1: A 30 MET CE :methyl -178:sc= -1.17 (180deg=-1.12) USER MOD Set 3.2: A 99 SER OG : rot 180:sc= -0.101 USER MOD Set 4.1: A 11 THR OG1 : rot 93:sc= 0.478 USER MOD Set 4.2: A 12 ASN : amide:sc= 0.435 X(o=0.91,f=0.59) USER MOD Single : A 8 THR OG1 : rot 20:sc= 0.544 USER MOD Single : A 18 ASN : amide:sc= 1.21 K(o=1.2,f=-0.24) USER MOD Single : A 20 MET CE :methyl -156:sc= -0.0236 (180deg=-0.443) USER MOD Single : A 21 ASN : amide:sc= 0.815 K(o=0.81,f=0) USER MOD Single : A 22 SER OG : rot 80:sc= 1.11 USER MOD Single : A 24 MET CE :methyl -143:sc= -0.0119 (180deg=-0.245) USER MOD Single : A 25 GLN : amide:sc=-0.00697 X(o=-0.007,f=-0.035) USER MOD Single : A 28 SER OG : rot -87:sc= 1.16 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.973 K(o=-0.97,f=-2.1!) USER MOD Single : A 41 MET CE :methyl 178:sc=-0.00846 (180deg=-0.0159) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 46 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.23) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -113:sc= -0.551 (180deg=-0.906) USER MOD Single : A 50 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.22) USER MOD Single : A 51 SER OG : rot 91:sc= 1.27 USER MOD Single : A 53 GLN : amide:sc= -0.232 K(o=-0.23,f=-0.88) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.159 F(o=-1.2,f=-0.16) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.071 USER MOD Single : A 62 SER OG : rot 180:sc= -0.937 USER MOD Single : A 64 ASN : amide:sc= -0.0237 K(o=-0.024,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0133 (180deg=-0.172) USER MOD Single : A 70 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.8!) USER MOD Single : A 75 SER OG : rot -88:sc= 1.37 USER MOD Single : A 76 SER OG : rot 61:sc= 1.3 USER MOD Single : A 77 MET CE :methyl -173:sc= -0.782 (180deg=-1.06) USER MOD Single : A 89 SER OG : rot 27:sc= 0.0314 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 151:sc= 1.25 (180deg=0.273) USER MOD Single : A 94 THR OG1 : rot -170:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 73:sc= 0.184 USER MOD Single : A 101 MET CE :methyl 175:sc= -2.54! (180deg=-2.6) USER MOD Single : A 102 SER OG : rot 71:sc= 1.24 USER MOD Single : A 108 THR OG1 : rot -83:sc= 0.364 USER MOD Single : A 109 THR OG1 : rot -16:sc= 0.107! USER MOD Single : A 113 ASN : amide:sc= -0.835 K(o=-0.84,f=-9!) USER MOD Single : A 114 GLN : amide:sc= 0.0645 X(o=0.065,f=-0.12) USER MOD Single : A 118 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.1) USER MOD Single : A 121 THR OG1 : rot 19:sc= 0.57 USER MOD Single : A 122 GLN :FLIP amide:sc= -0.529 F(o=-1.8!,f=-0.53) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 159:sc= -0.146 (180deg=-0.758) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 13.977 -0.905 -7.764 1.00 0.00 N ATOM 82 CA THR A 8 14.735 -0.351 -8.873 1.00 0.00 C ATOM 83 C THR A 8 16.168 -0.883 -8.817 1.00 0.00 C ATOM 84 O THR A 8 16.739 -1.011 -7.738 1.00 0.00 O ATOM 85 CB THR A 8 14.746 1.191 -8.803 1.00 0.00 C ATOM 86 OG1 THR A 8 13.502 1.652 -8.260 1.00 0.00 O ATOM 87 CG2 THR A 8 14.950 1.817 -10.174 1.00 0.00 C ATOM 0 HA THR A 8 14.267 -0.650 -9.811 1.00 0.00 H new ATOM 0 HB THR A 8 15.578 1.489 -8.165 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.068 0.922 -7.771 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.952 2.903 -10.081 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.903 1.487 -10.587 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.142 1.511 -10.838 1.00 0.00 H new ATOM 95 N PRO A 9 16.765 -1.221 -9.966 1.00 0.00 N ATOM 96 CA PRO A 9 18.119 -1.784 -10.014 1.00 0.00 C ATOM 97 C PRO A 9 19.196 -0.760 -9.671 1.00 0.00 C ATOM 98 O PRO A 9 20.344 -1.114 -9.418 1.00 0.00 O ATOM 99 CB PRO A 9 18.262 -2.235 -11.470 1.00 0.00 C ATOM 100 CG PRO A 9 17.326 -1.361 -12.229 1.00 0.00 C ATOM 101 CD PRO A 9 16.170 -1.091 -11.304 1.00 0.00 C ATOM 0 HA PRO A 9 18.249 -2.584 -9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.287 -2.118 -11.822 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.003 -3.287 -11.586 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.813 -0.432 -12.526 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.989 -1.851 -13.143 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.752 -0.097 -11.463 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.360 -1.805 -11.454 1.00 0.00 H new ATOM 109 N TRP A 10 18.815 0.509 -9.648 1.00 0.00 N ATOM 110 CA TRP A 10 19.775 1.585 -9.460 1.00 0.00 C ATOM 111 C TRP A 10 19.709 2.151 -8.038 1.00 0.00 C ATOM 112 O TRP A 10 20.233 3.231 -7.773 1.00 0.00 O ATOM 113 CB TRP A 10 19.519 2.709 -10.472 1.00 0.00 C ATOM 114 CG TRP A 10 19.298 2.248 -11.888 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.298 2.661 -12.722 1.00 0.00 C ATOM 116 CD2 TRP A 10 20.070 1.294 -12.633 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.405 2.034 -13.938 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.481 1.188 -13.910 1.00 0.00 C ATOM 119 CE3 TRP A 10 21.203 0.520 -12.355 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.984 0.346 -14.897 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.696 -0.320 -13.335 1.00 0.00 C ATOM 122 CH2 TRP A 10 21.088 -0.399 -14.595 1.00 0.00 C ATOM 0 H TRP A 10 17.849 0.818 -9.757 1.00 0.00 H new ATOM 0 HA TRP A 10 20.770 1.171 -9.619 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.646 3.277 -10.150 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.368 3.393 -10.456 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.533 3.378 -12.462 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.783 2.175 -14.734 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.684 0.579 -11.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 19.517 0.284 -15.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 22.565 -0.926 -13.126 1.00 0.00 H new ATOM 0 HH2 TRP A 10 21.500 -1.062 -15.342 1.00 0.00 H new ATOM 133 N THR A 11 19.075 1.421 -7.124 1.00 0.00 N ATOM 134 CA THR A 11 18.929 1.883 -5.754 1.00 0.00 C ATOM 135 C THR A 11 20.256 1.840 -5.007 1.00 0.00 C ATOM 136 O THR A 11 20.572 2.733 -4.220 1.00 0.00 O ATOM 137 CB THR A 11 17.906 1.026 -4.990 1.00 0.00 C ATOM 138 OG1 THR A 11 18.204 -0.367 -5.160 1.00 0.00 O ATOM 139 CG2 THR A 11 16.489 1.309 -5.459 1.00 0.00 C ATOM 0 H THR A 11 18.656 0.510 -7.310 1.00 0.00 H new ATOM 0 HA THR A 11 18.579 2.914 -5.805 1.00 0.00 H new ATOM 0 HB THR A 11 17.974 1.286 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.768 -0.674 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.790 0.687 -4.900 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.254 2.360 -5.292 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.406 1.083 -6.522 1.00 0.00 H new ATOM 147 N ASN A 12 21.032 0.795 -5.261 1.00 0.00 N ATOM 148 CA ASN A 12 22.266 0.566 -4.528 1.00 0.00 C ATOM 149 C ASN A 12 23.407 0.261 -5.483 1.00 0.00 C ATOM 150 O ASN A 12 23.196 -0.325 -6.546 1.00 0.00 O ATOM 151 CB ASN A 12 22.098 -0.601 -3.551 1.00 0.00 C ATOM 152 CG ASN A 12 21.027 -0.354 -2.509 1.00 0.00 C ATOM 153 OD1 ASN A 12 19.856 -0.677 -2.716 1.00 0.00 O ATOM 154 ND2 ASN A 12 21.420 0.214 -1.381 1.00 0.00 N ATOM 0 H ASN A 12 20.827 0.092 -5.971 1.00 0.00 H new ATOM 0 HA ASN A 12 22.500 1.473 -3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.851 -1.503 -4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.048 -0.787 -3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 12 20.743 0.400 -0.641 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.400 0.465 -1.251 1.00 0.00 H new ATOM 161 N PRO A 13 24.634 0.649 -5.107 1.00 0.00 N ATOM 162 CA PRO A 13 25.828 0.391 -5.913 1.00 0.00 C ATOM 163 C PRO A 13 26.094 -1.100 -6.081 1.00 0.00 C ATOM 164 O PRO A 13 26.465 -1.555 -7.162 1.00 0.00 O ATOM 165 CB PRO A 13 26.958 1.050 -5.116 1.00 0.00 C ATOM 166 CG PRO A 13 26.435 1.173 -3.727 1.00 0.00 C ATOM 167 CD PRO A 13 24.955 1.375 -3.866 1.00 0.00 C ATOM 0 HA PRO A 13 25.726 0.783 -6.925 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.864 0.445 -5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 13 27.214 2.026 -5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 13 26.655 0.278 -3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.897 2.012 -3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.411 0.973 -3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.697 2.432 -3.939 1.00 0.00 H new ATOM 175 N GLY A 14 25.889 -1.855 -5.006 1.00 0.00 N ATOM 176 CA GLY A 14 26.095 -3.288 -5.055 1.00 0.00 C ATOM 177 C GLY A 14 25.094 -3.974 -5.960 1.00 0.00 C ATOM 178 O GLY A 14 25.421 -4.951 -6.633 1.00 0.00 O ATOM 0 H GLY A 14 25.583 -1.497 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.105 -3.497 -5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.016 -3.700 -4.049 1.00 0.00 H new ATOM 182 N LEU A 15 23.875 -3.449 -5.988 1.00 0.00 N ATOM 183 CA LEU A 15 22.825 -3.993 -6.841 1.00 0.00 C ATOM 184 C LEU A 15 23.273 -3.911 -8.295 1.00 0.00 C ATOM 185 O LEU A 15 23.394 -4.926 -8.978 1.00 0.00 O ATOM 186 CB LEU A 15 21.520 -3.202 -6.638 1.00 0.00 C ATOM 187 CG LEU A 15 20.203 -3.908 -7.022 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.185 -4.347 -8.480 1.00 0.00 C ATOM 189 CD2 LEU A 15 19.941 -5.099 -6.113 1.00 0.00 C ATOM 0 H LEU A 15 23.589 -2.646 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 15 22.641 -5.035 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.457 -2.917 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.590 -2.280 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 15 19.405 -3.177 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.237 -4.838 -8.700 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.300 -3.475 -9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 15 21.005 -5.042 -8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.007 -5.580 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.760 -5.813 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.868 -4.759 -5.080 1.00 0.00 H new ATOM 201 N ALA A 16 23.531 -2.688 -8.747 1.00 0.00 N ATOM 202 CA ALA A 16 23.990 -2.436 -10.111 1.00 0.00 C ATOM 203 C ALA A 16 25.262 -3.218 -10.440 1.00 0.00 C ATOM 204 O ALA A 16 25.431 -3.694 -11.562 1.00 0.00 O ATOM 205 CB ALA A 16 24.223 -0.951 -10.319 1.00 0.00 C ATOM 0 H ALA A 16 23.429 -1.845 -8.181 1.00 0.00 H new ATOM 0 HA ALA A 16 23.208 -2.779 -10.788 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.565 -0.776 -11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.292 -0.409 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.980 -0.600 -9.617 1.00 0.00 H new ATOM 211 N GLU A 17 26.150 -3.341 -9.461 1.00 0.00 N ATOM 212 CA GLU A 17 27.396 -4.082 -9.630 1.00 0.00 C ATOM 213 C GLU A 17 27.105 -5.530 -10.027 1.00 0.00 C ATOM 214 O GLU A 17 27.567 -6.009 -11.067 1.00 0.00 O ATOM 215 CB GLU A 17 28.201 -4.011 -8.326 1.00 0.00 C ATOM 216 CG GLU A 17 29.608 -4.583 -8.406 1.00 0.00 C ATOM 217 CD GLU A 17 29.671 -6.064 -8.100 1.00 0.00 C ATOM 218 OE1 GLU A 17 29.422 -6.447 -6.940 1.00 0.00 O ATOM 219 OE2 GLU A 17 29.989 -6.852 -9.010 1.00 0.00 O ATOM 0 H GLU A 17 26.029 -2.934 -8.534 1.00 0.00 H new ATOM 0 HA GLU A 17 27.985 -3.636 -10.431 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.266 -2.969 -8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.652 -4.543 -7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 17 30.007 -4.408 -9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 17 30.251 -4.047 -7.708 1.00 0.00 H new ATOM 226 N ASN A 18 26.309 -6.205 -9.208 1.00 0.00 N ATOM 227 CA ASN A 18 25.899 -7.575 -9.479 1.00 0.00 C ATOM 228 C ASN A 18 25.010 -7.649 -10.716 1.00 0.00 C ATOM 229 O ASN A 18 25.049 -8.628 -11.462 1.00 0.00 O ATOM 230 CB ASN A 18 25.151 -8.144 -8.274 1.00 0.00 C ATOM 231 CG ASN A 18 26.051 -8.421 -7.089 1.00 0.00 C ATOM 232 OD1 ASN A 18 26.619 -9.505 -6.964 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.173 -7.450 -6.203 1.00 0.00 N ATOM 0 H ASN A 18 25.932 -5.820 -8.342 1.00 0.00 H new ATOM 0 HA ASN A 18 26.796 -8.165 -9.665 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.372 -7.443 -7.974 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.653 -9.068 -8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.756 -7.584 -5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.685 -6.566 -6.345 1.00 0.00 H new ATOM 240 N PHE A 19 24.211 -6.608 -10.922 1.00 0.00 N ATOM 241 CA PHE A 19 23.289 -6.545 -12.051 1.00 0.00 C ATOM 242 C PHE A 19 24.048 -6.615 -13.368 1.00 0.00 C ATOM 243 O PHE A 19 23.744 -7.444 -14.220 1.00 0.00 O ATOM 244 CB PHE A 19 22.461 -5.254 -11.990 1.00 0.00 C ATOM 245 CG PHE A 19 21.357 -5.179 -13.009 1.00 0.00 C ATOM 246 CD1 PHE A 19 20.110 -5.714 -12.734 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.563 -4.565 -14.236 1.00 0.00 C ATOM 248 CE1 PHE A 19 19.090 -5.642 -13.664 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.545 -4.489 -15.168 1.00 0.00 C ATOM 250 CZ PHE A 19 19.307 -5.028 -14.881 1.00 0.00 C ATOM 0 H PHE A 19 24.183 -5.788 -10.315 1.00 0.00 H new ATOM 0 HA PHE A 19 22.616 -7.401 -11.992 1.00 0.00 H new ATOM 0 HB2 PHE A 19 22.028 -5.161 -10.994 1.00 0.00 H new ATOM 0 HB3 PHE A 19 23.127 -4.402 -12.129 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.932 -6.193 -11.782 1.00 0.00 H new ATOM 0 HD2 PHE A 19 22.530 -4.142 -14.466 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.123 -6.066 -13.438 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.718 -4.008 -16.120 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.510 -4.969 -15.607 1.00 0.00 H new ATOM 260 N MET A 20 25.050 -5.755 -13.518 1.00 0.00 N ATOM 261 CA MET A 20 25.833 -5.706 -14.749 1.00 0.00 C ATOM 262 C MET A 20 26.622 -6.992 -14.943 1.00 0.00 C ATOM 263 O MET A 20 26.806 -7.454 -16.067 1.00 0.00 O ATOM 264 CB MET A 20 26.774 -4.503 -14.743 1.00 0.00 C ATOM 265 CG MET A 20 26.051 -3.167 -14.760 1.00 0.00 C ATOM 266 SD MET A 20 24.948 -3.001 -16.177 1.00 0.00 S ATOM 267 CE MET A 20 24.312 -1.350 -15.928 1.00 0.00 C ATOM 0 H MET A 20 25.339 -5.084 -12.806 1.00 0.00 H new ATOM 0 HA MET A 20 25.139 -5.600 -15.583 1.00 0.00 H new ATOM 0 HB2 MET A 20 27.408 -4.552 -13.858 1.00 0.00 H new ATOM 0 HB3 MET A 20 27.432 -4.562 -15.610 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.476 -3.056 -13.841 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.784 -2.360 -14.777 1.00 0.00 H new ATOM 0 HE1 MET A 20 23.348 -1.252 -16.428 1.00 0.00 H new ATOM 0 HE2 MET A 20 24.188 -1.165 -14.861 1.00 0.00 H new ATOM 0 HE3 MET A 20 25.011 -0.624 -16.343 1.00 0.00 H new ATOM 277 N ASN A 21 27.075 -7.578 -13.842 1.00 0.00 N ATOM 278 CA ASN A 21 27.783 -8.845 -13.892 1.00 0.00 C ATOM 279 C ASN A 21 26.876 -9.940 -14.432 1.00 0.00 C ATOM 280 O ASN A 21 27.226 -10.641 -15.381 1.00 0.00 O ATOM 281 CB ASN A 21 28.293 -9.217 -12.501 1.00 0.00 C ATOM 282 CG ASN A 21 29.721 -8.765 -12.263 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.671 -9.503 -12.531 1.00 0.00 O ATOM 284 ND2 ASN A 21 29.885 -7.562 -11.743 1.00 0.00 N ATOM 0 H ASN A 21 26.963 -7.193 -12.904 1.00 0.00 H new ATOM 0 HA ASN A 21 28.636 -8.741 -14.563 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.644 -8.769 -11.748 1.00 0.00 H new ATOM 0 HB3 ASN A 21 28.232 -10.298 -12.373 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.824 -7.214 -11.549 1.00 0.00 H new ATOM 0 HD22 ASN A 21 29.073 -6.981 -11.535 1.00 0.00 H new ATOM 291 N SER A 22 25.694 -10.060 -13.839 1.00 0.00 N ATOM 292 CA SER A 22 24.721 -11.044 -14.252 1.00 0.00 C ATOM 293 C SER A 22 24.218 -10.750 -15.665 1.00 0.00 C ATOM 294 O SER A 22 23.877 -11.663 -16.422 1.00 0.00 O ATOM 295 CB SER A 22 23.569 -11.037 -13.259 1.00 0.00 C ATOM 296 OG SER A 22 24.047 -11.176 -11.930 1.00 0.00 O ATOM 0 H SER A 22 25.391 -9.475 -13.060 1.00 0.00 H new ATOM 0 HA SER A 22 25.185 -12.030 -14.268 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.008 -10.107 -13.353 1.00 0.00 H new ATOM 0 HB3 SER A 22 22.880 -11.850 -13.489 1.00 0.00 H new ATOM 0 HG SER A 22 24.380 -10.312 -11.610 1.00 0.00 H new ATOM 302 N PHE A 23 24.183 -9.465 -16.009 1.00 0.00 N ATOM 303 CA PHE A 23 23.811 -9.031 -17.345 1.00 0.00 C ATOM 304 C PHE A 23 24.733 -9.662 -18.379 1.00 0.00 C ATOM 305 O PHE A 23 24.274 -10.291 -19.328 1.00 0.00 O ATOM 306 CB PHE A 23 23.878 -7.501 -17.442 1.00 0.00 C ATOM 307 CG PHE A 23 23.511 -6.949 -18.794 1.00 0.00 C ATOM 308 CD1 PHE A 23 22.186 -6.705 -19.113 1.00 0.00 C ATOM 309 CD2 PHE A 23 24.490 -6.664 -19.740 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.839 -6.190 -20.348 1.00 0.00 C ATOM 311 CE2 PHE A 23 24.147 -6.146 -20.973 1.00 0.00 C ATOM 312 CZ PHE A 23 22.821 -5.908 -21.278 1.00 0.00 C ATOM 0 H PHE A 23 24.411 -8.703 -15.371 1.00 0.00 H new ATOM 0 HA PHE A 23 22.789 -9.352 -17.545 1.00 0.00 H new ATOM 0 HB2 PHE A 23 23.211 -7.072 -16.694 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.888 -7.177 -17.192 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.414 -6.920 -18.388 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.528 -6.850 -19.508 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.801 -6.008 -20.586 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.916 -5.927 -21.699 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.552 -5.502 -22.242 1.00 0.00 H new ATOM 322 N MET A 24 26.036 -9.513 -18.169 1.00 0.00 N ATOM 323 CA MET A 24 27.027 -10.031 -19.106 1.00 0.00 C ATOM 324 C MET A 24 26.987 -11.556 -19.149 1.00 0.00 C ATOM 325 O MET A 24 27.167 -12.158 -20.208 1.00 0.00 O ATOM 326 CB MET A 24 28.438 -9.562 -18.733 1.00 0.00 C ATOM 327 CG MET A 24 28.571 -8.055 -18.553 1.00 0.00 C ATOM 328 SD MET A 24 27.787 -7.104 -19.872 1.00 0.00 S ATOM 329 CE MET A 24 28.605 -7.763 -21.318 1.00 0.00 C ATOM 0 H MET A 24 26.431 -9.038 -17.358 1.00 0.00 H new ATOM 0 HA MET A 24 26.779 -9.641 -20.093 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.739 -10.054 -17.808 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.133 -9.886 -19.508 1.00 0.00 H new ATOM 0 HG2 MET A 24 28.130 -7.770 -17.598 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.628 -7.794 -18.506 1.00 0.00 H new ATOM 0 HE1 MET A 24 28.771 -6.962 -22.039 1.00 0.00 H new ATOM 0 HE2 MET A 24 29.563 -8.195 -21.029 1.00 0.00 H new ATOM 0 HE3 MET A 24 27.981 -8.534 -21.770 1.00 0.00 H new ATOM 339 N GLN A 25 26.737 -12.169 -17.994 1.00 0.00 N ATOM 340 CA GLN A 25 26.633 -13.626 -17.891 1.00 0.00 C ATOM 341 C GLN A 25 25.523 -14.157 -18.794 1.00 0.00 C ATOM 342 O GLN A 25 25.663 -15.207 -19.421 1.00 0.00 O ATOM 343 CB GLN A 25 26.361 -14.036 -16.442 1.00 0.00 C ATOM 344 CG GLN A 25 27.513 -13.743 -15.493 1.00 0.00 C ATOM 345 CD GLN A 25 28.694 -14.672 -15.697 1.00 0.00 C ATOM 346 OE1 GLN A 25 29.587 -14.401 -16.498 1.00 0.00 O ATOM 347 NE2 GLN A 25 28.709 -15.773 -14.963 1.00 0.00 N ATOM 0 H GLN A 25 26.602 -11.677 -17.111 1.00 0.00 H new ATOM 0 HA GLN A 25 27.581 -14.057 -18.215 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.471 -13.516 -16.088 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.140 -15.103 -16.412 1.00 0.00 H new ATOM 0 HG2 GLN A 25 27.839 -12.712 -15.632 1.00 0.00 H new ATOM 0 HG3 GLN A 25 27.162 -13.830 -14.465 1.00 0.00 H new ATOM 0 HE21 GLN A 25 27.948 -15.961 -14.310 1.00 0.00 H new ATOM 0 HE22 GLN A 25 29.481 -16.434 -15.050 1.00 0.00 H new ATOM 356 N GLY A 26 24.419 -13.424 -18.858 1.00 0.00 N ATOM 357 CA GLY A 26 23.321 -13.819 -19.713 1.00 0.00 C ATOM 358 C GLY A 26 23.516 -13.355 -21.142 1.00 0.00 C ATOM 359 O GLY A 26 23.234 -14.091 -22.083 1.00 0.00 O ATOM 0 H GLY A 26 24.266 -12.563 -18.332 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.221 -14.904 -19.695 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.391 -13.406 -19.322 1.00 0.00 H new ATOM 363 N LEU A 27 24.023 -12.135 -21.293 1.00 0.00 N ATOM 364 CA LEU A 27 24.197 -11.511 -22.602 1.00 0.00 C ATOM 365 C LEU A 27 25.149 -12.330 -23.475 1.00 0.00 C ATOM 366 O LEU A 27 24.942 -12.459 -24.680 1.00 0.00 O ATOM 367 CB LEU A 27 24.732 -10.079 -22.424 1.00 0.00 C ATOM 368 CG LEU A 27 24.179 -9.020 -23.391 1.00 0.00 C ATOM 369 CD1 LEU A 27 24.529 -9.348 -24.826 1.00 0.00 C ATOM 370 CD2 LEU A 27 22.672 -8.879 -23.233 1.00 0.00 C ATOM 0 H LEU A 27 24.325 -11.551 -20.513 1.00 0.00 H new ATOM 0 HA LEU A 27 23.230 -11.474 -23.103 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.516 -9.758 -21.405 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.817 -10.104 -22.528 1.00 0.00 H new ATOM 0 HG LEU A 27 24.646 -8.068 -23.139 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.123 -8.580 -25.484 1.00 0.00 H new ATOM 0 HD12 LEU A 27 25.613 -9.385 -24.937 1.00 0.00 H new ATOM 0 HD13 LEU A 27 24.103 -10.316 -25.092 1.00 0.00 H new ATOM 0 HD21 LEU A 27 22.302 -8.124 -23.927 1.00 0.00 H new ATOM 0 HD22 LEU A 27 22.193 -9.834 -23.447 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.440 -8.577 -22.212 1.00 0.00 H new ATOM 382 N SER A 28 26.175 -12.901 -22.858 1.00 0.00 N ATOM 383 CA SER A 28 27.162 -13.689 -23.579 1.00 0.00 C ATOM 384 C SER A 28 26.553 -14.972 -24.141 1.00 0.00 C ATOM 385 O SER A 28 27.074 -15.555 -25.090 1.00 0.00 O ATOM 386 CB SER A 28 28.322 -14.017 -22.644 1.00 0.00 C ATOM 387 OG SER A 28 27.848 -14.529 -21.412 1.00 0.00 O ATOM 0 H SER A 28 26.345 -12.832 -21.855 1.00 0.00 H new ATOM 0 HA SER A 28 27.524 -13.103 -24.424 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.980 -14.746 -23.116 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.915 -13.120 -22.466 1.00 0.00 H new ATOM 0 HG SER A 28 27.661 -13.787 -20.800 1.00 0.00 H new ATOM 393 N SER A 29 25.438 -15.394 -23.564 1.00 0.00 N ATOM 394 CA SER A 29 24.779 -16.614 -23.986 1.00 0.00 C ATOM 395 C SER A 29 23.600 -16.298 -24.908 1.00 0.00 C ATOM 396 O SER A 29 22.802 -17.178 -25.239 1.00 0.00 O ATOM 397 CB SER A 29 24.302 -17.382 -22.754 1.00 0.00 C ATOM 398 OG SER A 29 25.366 -17.575 -21.832 1.00 0.00 O ATOM 0 H SER A 29 24.972 -14.905 -22.800 1.00 0.00 H new ATOM 0 HA SER A 29 25.486 -17.228 -24.543 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.492 -16.835 -22.271 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.898 -18.348 -23.057 1.00 0.00 H new ATOM 0 HG SER A 29 25.037 -18.067 -21.051 1.00 0.00 H new ATOM 404 N MET A 30 23.506 -15.043 -25.330 1.00 0.00 N ATOM 405 CA MET A 30 22.402 -14.593 -26.163 1.00 0.00 C ATOM 406 C MET A 30 22.777 -14.611 -27.638 1.00 0.00 C ATOM 407 O MET A 30 23.678 -13.887 -28.064 1.00 0.00 O ATOM 408 CB MET A 30 21.983 -13.177 -25.781 1.00 0.00 C ATOM 409 CG MET A 30 21.471 -13.040 -24.360 1.00 0.00 C ATOM 410 SD MET A 30 19.958 -13.972 -24.066 1.00 0.00 S ATOM 411 CE MET A 30 19.650 -13.541 -22.357 1.00 0.00 C ATOM 0 H MET A 30 24.186 -14.316 -25.106 1.00 0.00 H new ATOM 0 HA MET A 30 21.573 -15.281 -25.998 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.835 -12.510 -25.914 1.00 0.00 H new ATOM 0 HB3 MET A 30 21.206 -12.842 -26.469 1.00 0.00 H new ATOM 0 HG2 MET A 30 22.241 -13.380 -23.668 1.00 0.00 H new ATOM 0 HG3 MET A 30 21.291 -11.987 -24.144 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.762 -14.066 -22.004 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.508 -13.829 -21.749 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.492 -12.466 -22.276 1.00 0.00 H new ATOM 421 N PRO A 31 22.094 -15.436 -28.437 1.00 0.00 N ATOM 422 CA PRO A 31 22.280 -15.443 -29.883 1.00 0.00 C ATOM 423 C PRO A 31 21.691 -14.187 -30.519 1.00 0.00 C ATOM 424 O PRO A 31 20.476 -13.992 -30.527 1.00 0.00 O ATOM 425 CB PRO A 31 21.532 -16.696 -30.340 1.00 0.00 C ATOM 426 CG PRO A 31 20.513 -16.949 -29.282 1.00 0.00 C ATOM 427 CD PRO A 31 21.094 -16.426 -27.995 1.00 0.00 C ATOM 0 HA PRO A 31 23.331 -15.452 -30.172 1.00 0.00 H new ATOM 0 HB2 PRO A 31 21.062 -16.542 -31.311 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.210 -17.543 -30.445 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.576 -16.445 -29.518 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.291 -18.013 -29.203 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.329 -15.969 -27.367 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.552 -17.223 -27.410 1.00 0.00 H new ATOM 435 N GLY A 32 22.562 -13.326 -31.023 1.00 0.00 N ATOM 436 CA GLY A 32 22.119 -12.074 -31.599 1.00 0.00 C ATOM 437 C GLY A 32 23.176 -10.998 -31.491 1.00 0.00 C ATOM 438 O GLY A 32 23.272 -10.120 -32.346 1.00 0.00 O ATOM 0 H GLY A 32 23.571 -13.473 -31.043 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.863 -12.227 -32.647 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.211 -11.743 -31.094 1.00 0.00 H new ATOM 442 N PHE A 33 23.967 -11.061 -30.428 1.00 0.00 N ATOM 443 CA PHE A 33 25.087 -10.148 -30.257 1.00 0.00 C ATOM 444 C PHE A 33 26.396 -10.845 -30.610 1.00 0.00 C ATOM 445 O PHE A 33 26.396 -11.967 -31.116 1.00 0.00 O ATOM 446 CB PHE A 33 25.153 -9.621 -28.819 1.00 0.00 C ATOM 447 CG PHE A 33 24.124 -8.573 -28.488 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.324 -7.247 -28.846 1.00 0.00 C ATOM 449 CD2 PHE A 33 22.969 -8.906 -27.801 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.395 -6.281 -28.528 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.038 -7.939 -27.477 1.00 0.00 C ATOM 452 CZ PHE A 33 22.252 -6.626 -27.841 1.00 0.00 C ATOM 0 H PHE A 33 23.853 -11.735 -29.671 1.00 0.00 H new ATOM 0 HA PHE A 33 24.936 -9.303 -30.929 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.032 -10.459 -28.133 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.145 -9.205 -28.643 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.220 -6.969 -29.381 1.00 0.00 H new ATOM 0 HD2 PHE A 33 22.794 -9.933 -27.516 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.563 -5.254 -28.817 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.142 -8.211 -26.939 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.524 -5.869 -27.588 1.00 0.00 H new ATOM 462 N THR A 34 27.506 -10.176 -30.340 1.00 0.00 N ATOM 463 CA THR A 34 28.819 -10.728 -30.618 1.00 0.00 C ATOM 464 C THR A 34 29.832 -10.168 -29.623 1.00 0.00 C ATOM 465 O THR A 34 29.496 -9.291 -28.821 1.00 0.00 O ATOM 466 CB THR A 34 29.267 -10.419 -32.067 1.00 0.00 C ATOM 467 OG1 THR A 34 30.442 -11.170 -32.397 1.00 0.00 O ATOM 468 CG2 THR A 34 29.551 -8.937 -32.249 1.00 0.00 C ATOM 0 H THR A 34 27.521 -9.244 -29.926 1.00 0.00 H new ATOM 0 HA THR A 34 28.764 -11.811 -30.512 1.00 0.00 H new ATOM 0 HB THR A 34 28.452 -10.704 -32.733 1.00 0.00 H new ATOM 0 HG1 THR A 34 30.713 -10.966 -33.316 1.00 0.00 H new ATOM 0 HG21 THR A 34 29.864 -8.750 -33.276 1.00 0.00 H new ATOM 0 HG22 THR A 34 28.649 -8.365 -32.034 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.345 -8.632 -31.567 1.00 0.00 H new ATOM 476 N ALA A 35 31.062 -10.662 -29.693 1.00 0.00 N ATOM 477 CA ALA A 35 32.116 -10.260 -28.767 1.00 0.00 C ATOM 478 C ALA A 35 32.353 -8.752 -28.802 1.00 0.00 C ATOM 479 O ALA A 35 32.582 -8.123 -27.767 1.00 0.00 O ATOM 480 CB ALA A 35 33.403 -11.005 -29.092 1.00 0.00 C ATOM 0 H ALA A 35 31.357 -11.348 -30.388 1.00 0.00 H new ATOM 0 HA ALA A 35 31.793 -10.518 -27.758 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.185 -10.700 -28.397 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.235 -12.078 -29.001 1.00 0.00 H new ATOM 0 HB3 ALA A 35 33.711 -10.771 -30.111 1.00 0.00 H new ATOM 486 N SER A 36 32.282 -8.173 -29.996 1.00 0.00 N ATOM 487 CA SER A 36 32.489 -6.740 -30.166 1.00 0.00 C ATOM 488 C SER A 36 31.374 -5.951 -29.487 1.00 0.00 C ATOM 489 O SER A 36 31.632 -4.972 -28.791 1.00 0.00 O ATOM 490 CB SER A 36 32.564 -6.402 -31.655 1.00 0.00 C ATOM 491 OG SER A 36 33.530 -7.218 -32.297 1.00 0.00 O ATOM 0 H SER A 36 32.082 -8.675 -30.861 1.00 0.00 H new ATOM 0 HA SER A 36 33.431 -6.460 -29.695 1.00 0.00 H new ATOM 0 HB2 SER A 36 31.588 -6.549 -32.118 1.00 0.00 H new ATOM 0 HB3 SER A 36 32.822 -5.351 -31.784 1.00 0.00 H new ATOM 0 HG SER A 36 33.567 -6.993 -33.250 1.00 0.00 H new ATOM 497 N GLN A 37 30.135 -6.399 -29.675 1.00 0.00 N ATOM 498 CA GLN A 37 28.994 -5.773 -29.019 1.00 0.00 C ATOM 499 C GLN A 37 29.110 -5.911 -27.501 1.00 0.00 C ATOM 500 O GLN A 37 28.870 -4.961 -26.760 1.00 0.00 O ATOM 501 CB GLN A 37 27.678 -6.395 -29.504 1.00 0.00 C ATOM 502 CG GLN A 37 26.988 -5.637 -30.639 1.00 0.00 C ATOM 503 CD GLN A 37 27.809 -5.563 -31.910 1.00 0.00 C ATOM 504 OE1 GLN A 37 27.746 -6.453 -32.756 1.00 0.00 O ATOM 505 NE2 GLN A 37 28.557 -4.489 -32.069 1.00 0.00 N ATOM 0 H GLN A 37 29.898 -7.190 -30.274 1.00 0.00 H new ATOM 0 HA GLN A 37 28.993 -4.714 -29.279 1.00 0.00 H new ATOM 0 HB2 GLN A 37 27.875 -7.415 -29.835 1.00 0.00 H new ATOM 0 HB3 GLN A 37 26.991 -6.461 -28.660 1.00 0.00 H new ATOM 0 HG2 GLN A 37 26.036 -6.119 -30.860 1.00 0.00 H new ATOM 0 HG3 GLN A 37 26.762 -4.625 -30.303 1.00 0.00 H new ATOM 0 HE21 GLN A 37 28.582 -3.773 -31.343 1.00 0.00 H new ATOM 0 HE22 GLN A 37 29.111 -4.374 -32.918 1.00 0.00 H new ATOM 514 N LEU A 38 29.503 -7.101 -27.053 1.00 0.00 N ATOM 515 CA LEU A 38 29.658 -7.390 -25.629 1.00 0.00 C ATOM 516 C LEU A 38 30.649 -6.439 -24.969 1.00 0.00 C ATOM 517 O LEU A 38 30.447 -6.004 -23.832 1.00 0.00 O ATOM 518 CB LEU A 38 30.138 -8.828 -25.429 1.00 0.00 C ATOM 519 CG LEU A 38 29.123 -9.784 -24.798 1.00 0.00 C ATOM 520 CD1 LEU A 38 27.893 -9.929 -25.677 1.00 0.00 C ATOM 521 CD2 LEU A 38 29.766 -11.139 -24.552 1.00 0.00 C ATOM 0 H LEU A 38 29.722 -7.889 -27.663 1.00 0.00 H new ATOM 0 HA LEU A 38 28.682 -7.255 -25.162 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.435 -9.230 -26.397 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.030 -8.810 -24.803 1.00 0.00 H new ATOM 0 HG LEU A 38 28.805 -9.367 -23.843 1.00 0.00 H new ATOM 0 HD11 LEU A 38 27.188 -10.614 -25.206 1.00 0.00 H new ATOM 0 HD12 LEU A 38 27.422 -8.955 -25.807 1.00 0.00 H new ATOM 0 HD13 LEU A 38 28.186 -10.323 -26.650 1.00 0.00 H new ATOM 0 HD21 LEU A 38 29.036 -11.812 -24.103 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.110 -11.556 -25.499 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.614 -11.022 -23.878 1.00 0.00 H new ATOM 533 N ASP A 39 31.718 -6.121 -25.689 1.00 0.00 N ATOM 534 CA ASP A 39 32.770 -5.263 -25.161 1.00 0.00 C ATOM 535 C ASP A 39 32.226 -3.870 -24.870 1.00 0.00 C ATOM 536 O ASP A 39 32.568 -3.251 -23.858 1.00 0.00 O ATOM 537 CB ASP A 39 33.934 -5.181 -26.144 1.00 0.00 C ATOM 538 CG ASP A 39 35.187 -4.614 -25.510 1.00 0.00 C ATOM 539 OD1 ASP A 39 35.968 -5.401 -24.930 1.00 0.00 O ATOM 540 OD2 ASP A 39 35.406 -3.391 -25.595 1.00 0.00 O ATOM 0 H ASP A 39 31.879 -6.446 -26.642 1.00 0.00 H new ATOM 0 HA ASP A 39 33.132 -5.696 -24.229 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.146 -6.176 -26.535 1.00 0.00 H new ATOM 0 HB3 ASP A 39 33.646 -4.560 -26.992 1.00 0.00 H new ATOM 545 N ASP A 40 31.355 -3.392 -25.751 1.00 0.00 N ATOM 546 CA ASP A 40 30.732 -2.095 -25.577 1.00 0.00 C ATOM 547 C ASP A 40 29.773 -2.111 -24.393 1.00 0.00 C ATOM 548 O ASP A 40 29.801 -1.203 -23.561 1.00 0.00 O ATOM 549 CB ASP A 40 30.004 -1.675 -26.853 1.00 0.00 C ATOM 550 CG ASP A 40 30.941 -1.143 -27.921 1.00 0.00 C ATOM 551 OD1 ASP A 40 31.328 0.043 -27.844 1.00 0.00 O ATOM 552 OD2 ASP A 40 31.289 -1.905 -28.849 1.00 0.00 O ATOM 0 H ASP A 40 31.067 -3.889 -26.594 1.00 0.00 H new ATOM 0 HA ASP A 40 31.515 -1.365 -25.371 1.00 0.00 H new ATOM 0 HB2 ASP A 40 29.456 -2.529 -27.251 1.00 0.00 H new ATOM 0 HB3 ASP A 40 29.267 -0.910 -26.609 1.00 0.00 H new ATOM 557 N MET A 41 28.925 -3.146 -24.316 1.00 0.00 N ATOM 558 CA MET A 41 28.046 -3.348 -23.159 1.00 0.00 C ATOM 559 C MET A 41 28.791 -3.188 -21.843 1.00 0.00 C ATOM 560 O MET A 41 28.384 -2.406 -20.987 1.00 0.00 O ATOM 561 CB MET A 41 27.403 -4.737 -23.194 1.00 0.00 C ATOM 562 CG MET A 41 26.044 -4.763 -23.863 1.00 0.00 C ATOM 563 SD MET A 41 26.122 -4.324 -25.602 1.00 0.00 S ATOM 564 CE MET A 41 24.384 -4.228 -25.975 1.00 0.00 C ATOM 0 H MET A 41 28.830 -3.856 -25.042 1.00 0.00 H new ATOM 0 HA MET A 41 27.274 -2.581 -23.221 1.00 0.00 H new ATOM 0 HB2 MET A 41 28.069 -5.423 -23.718 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.303 -5.107 -22.174 1.00 0.00 H new ATOM 0 HG2 MET A 41 25.613 -5.759 -23.763 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.376 -4.073 -23.347 1.00 0.00 H new ATOM 0 HE1 MET A 41 24.251 -3.928 -27.015 1.00 0.00 H new ATOM 0 HE2 MET A 41 23.923 -5.203 -25.817 1.00 0.00 H new ATOM 0 HE3 MET A 41 23.912 -3.494 -25.323 1.00 0.00 H new ATOM 574 N SER A 42 29.892 -3.918 -21.696 1.00 0.00 N ATOM 575 CA SER A 42 30.648 -3.920 -20.450 1.00 0.00 C ATOM 576 C SER A 42 31.182 -2.523 -20.145 1.00 0.00 C ATOM 577 O SER A 42 31.195 -2.084 -18.993 1.00 0.00 O ATOM 578 CB SER A 42 31.801 -4.927 -20.530 1.00 0.00 C ATOM 579 OG SER A 42 32.440 -5.080 -19.275 1.00 0.00 O ATOM 0 H SER A 42 30.280 -4.516 -22.425 1.00 0.00 H new ATOM 0 HA SER A 42 29.981 -4.217 -19.641 1.00 0.00 H new ATOM 0 HB2 SER A 42 31.421 -5.892 -20.867 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.527 -4.594 -21.272 1.00 0.00 H new ATOM 0 HG SER A 42 33.170 -5.729 -19.356 1.00 0.00 H new ATOM 585 N THR A 43 31.585 -1.817 -21.192 1.00 0.00 N ATOM 586 CA THR A 43 32.151 -0.488 -21.051 1.00 0.00 C ATOM 587 C THR A 43 31.082 0.527 -20.636 1.00 0.00 C ATOM 588 O THR A 43 31.305 1.353 -19.749 1.00 0.00 O ATOM 589 CB THR A 43 32.813 -0.036 -22.365 1.00 0.00 C ATOM 590 OG1 THR A 43 33.736 -1.037 -22.818 1.00 0.00 O ATOM 591 CG2 THR A 43 33.545 1.283 -22.172 1.00 0.00 C ATOM 0 H THR A 43 31.529 -2.148 -22.155 1.00 0.00 H new ATOM 0 HA THR A 43 32.908 -0.535 -20.268 1.00 0.00 H new ATOM 0 HB THR A 43 32.032 0.103 -23.113 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.244 -1.758 -23.263 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.006 1.584 -23.113 1.00 0.00 H new ATOM 0 HG22 THR A 43 32.838 2.048 -21.853 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.317 1.163 -21.412 1.00 0.00 H new ATOM 599 N ILE A 44 29.917 0.453 -21.270 1.00 0.00 N ATOM 600 CA ILE A 44 28.814 1.351 -20.944 1.00 0.00 C ATOM 601 C ILE A 44 28.273 1.037 -19.557 1.00 0.00 C ATOM 602 O ILE A 44 27.903 1.936 -18.799 1.00 0.00 O ATOM 603 CB ILE A 44 27.671 1.251 -21.974 1.00 0.00 C ATOM 604 CG1 ILE A 44 28.186 1.582 -23.375 1.00 0.00 C ATOM 605 CG2 ILE A 44 26.521 2.175 -21.596 1.00 0.00 C ATOM 606 CD1 ILE A 44 28.848 2.938 -23.481 1.00 0.00 C ATOM 0 H ILE A 44 29.712 -0.217 -22.011 1.00 0.00 H new ATOM 0 HA ILE A 44 29.205 2.368 -20.967 1.00 0.00 H new ATOM 0 HB ILE A 44 27.298 0.227 -21.974 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.899 0.816 -23.680 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.353 1.539 -24.077 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.726 2.088 -22.337 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.136 1.894 -20.616 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.877 3.205 -21.565 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.186 3.099 -24.505 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.133 3.714 -23.209 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.703 2.979 -22.806 1.00 0.00 H new ATOM 618 N ALA A 45 28.247 -0.249 -19.231 1.00 0.00 N ATOM 619 CA ALA A 45 27.848 -0.703 -17.905 1.00 0.00 C ATOM 620 C ALA A 45 28.683 -0.015 -16.831 1.00 0.00 C ATOM 621 O ALA A 45 28.184 0.317 -15.755 1.00 0.00 O ATOM 622 CB ALA A 45 27.990 -2.216 -17.800 1.00 0.00 C ATOM 0 H ALA A 45 28.500 -1.001 -19.872 1.00 0.00 H new ATOM 0 HA ALA A 45 26.802 -0.440 -17.749 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.689 -2.542 -16.804 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.355 -2.694 -18.546 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.029 -2.497 -17.975 1.00 0.00 H new ATOM 628 N GLN A 46 29.954 0.223 -17.149 1.00 0.00 N ATOM 629 CA GLN A 46 30.861 0.902 -16.233 1.00 0.00 C ATOM 630 C GLN A 46 30.395 2.326 -15.964 1.00 0.00 C ATOM 631 O GLN A 46 30.430 2.793 -14.825 1.00 0.00 O ATOM 632 CB GLN A 46 32.290 0.925 -16.788 1.00 0.00 C ATOM 633 CG GLN A 46 32.922 -0.451 -16.959 1.00 0.00 C ATOM 634 CD GLN A 46 32.700 -1.356 -15.765 1.00 0.00 C ATOM 635 OE1 GLN A 46 33.448 -1.317 -14.789 1.00 0.00 O ATOM 636 NE2 GLN A 46 31.688 -2.204 -15.855 1.00 0.00 N ATOM 0 H GLN A 46 30.377 -0.046 -18.037 1.00 0.00 H new ATOM 0 HA GLN A 46 30.857 0.345 -15.296 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.283 1.431 -17.754 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.916 1.518 -16.122 1.00 0.00 H new ATOM 0 HG2 GLN A 46 32.510 -0.926 -17.850 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.993 -0.335 -17.126 1.00 0.00 H new ATOM 0 HE21 GLN A 46 31.093 -2.202 -16.683 1.00 0.00 H new ATOM 0 HE22 GLN A 46 31.503 -2.860 -15.096 1.00 0.00 H new ATOM 645 N SER A 47 29.935 3.006 -17.014 1.00 0.00 N ATOM 646 CA SER A 47 29.482 4.386 -16.893 1.00 0.00 C ATOM 647 C SER A 47 28.307 4.484 -15.921 1.00 0.00 C ATOM 648 O SER A 47 28.211 5.429 -15.136 1.00 0.00 O ATOM 649 CB SER A 47 29.079 4.927 -18.267 1.00 0.00 C ATOM 650 OG SER A 47 30.146 4.807 -19.194 1.00 0.00 O ATOM 0 H SER A 47 29.867 2.621 -17.956 1.00 0.00 H new ATOM 0 HA SER A 47 30.302 4.988 -16.501 1.00 0.00 H new ATOM 0 HB2 SER A 47 28.210 4.382 -18.635 1.00 0.00 H new ATOM 0 HB3 SER A 47 28.786 5.973 -18.178 1.00 0.00 H new ATOM 0 HG SER A 47 29.864 5.158 -20.065 1.00 0.00 H new ATOM 656 N MET A 48 27.429 3.488 -15.965 1.00 0.00 N ATOM 657 CA MET A 48 26.278 3.445 -15.084 1.00 0.00 C ATOM 658 C MET A 48 26.720 3.232 -13.638 1.00 0.00 C ATOM 659 O MET A 48 26.318 3.976 -12.741 1.00 0.00 O ATOM 660 CB MET A 48 25.336 2.324 -15.523 1.00 0.00 C ATOM 661 CG MET A 48 24.148 2.134 -14.601 1.00 0.00 C ATOM 662 SD MET A 48 23.032 3.550 -14.580 1.00 0.00 S ATOM 663 CE MET A 48 22.395 3.515 -16.254 1.00 0.00 C ATOM 0 H MET A 48 27.497 2.698 -16.606 1.00 0.00 H new ATOM 0 HA MET A 48 25.751 4.397 -15.143 1.00 0.00 H new ATOM 0 HB2 MET A 48 24.974 2.538 -16.529 1.00 0.00 H new ATOM 0 HB3 MET A 48 25.896 1.390 -15.577 1.00 0.00 H new ATOM 0 HG2 MET A 48 23.594 1.248 -14.910 1.00 0.00 H new ATOM 0 HG3 MET A 48 24.508 1.948 -13.589 1.00 0.00 H new ATOM 0 HE1 MET A 48 22.748 4.392 -16.796 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.744 2.613 -16.757 1.00 0.00 H new ATOM 0 HE3 MET A 48 21.305 3.518 -16.229 1.00 0.00 H new ATOM 673 N VAL A 49 27.572 2.233 -13.423 1.00 0.00 N ATOM 674 CA VAL A 49 28.033 1.892 -12.081 1.00 0.00 C ATOM 675 C VAL A 49 28.755 3.070 -11.429 1.00 0.00 C ATOM 676 O VAL A 49 28.479 3.416 -10.279 1.00 0.00 O ATOM 677 CB VAL A 49 28.965 0.656 -12.097 1.00 0.00 C ATOM 678 CG1 VAL A 49 29.475 0.343 -10.696 1.00 0.00 C ATOM 679 CG2 VAL A 49 28.243 -0.550 -12.678 1.00 0.00 C ATOM 0 H VAL A 49 27.957 1.645 -14.162 1.00 0.00 H new ATOM 0 HA VAL A 49 27.147 1.651 -11.493 1.00 0.00 H new ATOM 0 HB VAL A 49 29.822 0.887 -12.730 1.00 0.00 H new ATOM 0 HG11 VAL A 49 30.128 -0.529 -10.733 1.00 0.00 H new ATOM 0 HG12 VAL A 49 30.033 1.197 -10.312 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.630 0.136 -10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.914 -1.409 -12.681 1.00 0.00 H new ATOM 0 HG22 VAL A 49 27.366 -0.776 -12.071 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.931 -0.330 -13.699 1.00 0.00 H new ATOM 689 N GLN A 50 29.658 3.700 -12.174 1.00 0.00 N ATOM 690 CA GLN A 50 30.446 4.812 -11.651 1.00 0.00 C ATOM 691 C GLN A 50 29.572 6.005 -11.270 1.00 0.00 C ATOM 692 O GLN A 50 29.912 6.770 -10.369 1.00 0.00 O ATOM 693 CB GLN A 50 31.509 5.243 -12.661 1.00 0.00 C ATOM 694 CG GLN A 50 32.647 4.245 -12.807 1.00 0.00 C ATOM 695 CD GLN A 50 33.387 4.009 -11.502 1.00 0.00 C ATOM 696 OE1 GLN A 50 34.330 4.725 -11.175 1.00 0.00 O ATOM 697 NE2 GLN A 50 32.988 2.985 -10.764 1.00 0.00 N ATOM 0 H GLN A 50 29.863 3.459 -13.144 1.00 0.00 H new ATOM 0 HA GLN A 50 30.937 4.457 -10.745 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.037 5.389 -13.633 1.00 0.00 H new ATOM 0 HB3 GLN A 50 31.918 6.207 -12.357 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.250 3.298 -13.172 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.349 4.607 -13.558 1.00 0.00 H new ATOM 0 HE21 GLN A 50 32.200 2.413 -11.069 1.00 0.00 H new ATOM 0 HE22 GLN A 50 33.468 2.768 -9.891 1.00 0.00 H new ATOM 706 N SER A 51 28.440 6.151 -11.943 1.00 0.00 N ATOM 707 CA SER A 51 27.524 7.240 -11.640 1.00 0.00 C ATOM 708 C SER A 51 26.792 6.965 -10.330 1.00 0.00 C ATOM 709 O SER A 51 26.679 7.838 -9.466 1.00 0.00 O ATOM 710 CB SER A 51 26.525 7.423 -12.784 1.00 0.00 C ATOM 711 OG SER A 51 27.204 7.660 -14.009 1.00 0.00 O ATOM 0 H SER A 51 28.136 5.534 -12.696 1.00 0.00 H new ATOM 0 HA SER A 51 28.097 8.161 -11.529 1.00 0.00 H new ATOM 0 HB2 SER A 51 25.901 6.534 -12.874 1.00 0.00 H new ATOM 0 HB3 SER A 51 25.860 8.258 -12.563 1.00 0.00 H new ATOM 0 HG SER A 51 27.363 6.807 -14.465 1.00 0.00 H new ATOM 717 N ILE A 52 26.324 5.731 -10.183 1.00 0.00 N ATOM 718 CA ILE A 52 25.609 5.313 -8.987 1.00 0.00 C ATOM 719 C ILE A 52 26.535 5.328 -7.772 1.00 0.00 C ATOM 720 O ILE A 52 26.113 5.659 -6.664 1.00 0.00 O ATOM 721 CB ILE A 52 25.010 3.908 -9.172 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.060 3.908 -10.370 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.281 3.463 -7.910 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.591 2.532 -10.772 1.00 0.00 C ATOM 0 H ILE A 52 26.429 4.998 -10.885 1.00 0.00 H new ATOM 0 HA ILE A 52 24.796 6.020 -8.818 1.00 0.00 H new ATOM 0 HB ILE A 52 25.818 3.201 -9.360 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.192 4.524 -10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.560 4.374 -11.219 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.865 2.467 -8.062 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.981 3.440 -7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.475 4.163 -7.689 1.00 0.00 H new ATOM 0 HD11 ILE A 52 22.921 2.612 -11.628 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.451 1.918 -11.040 1.00 0.00 H new ATOM 0 HD13 ILE A 52 23.062 2.070 -9.939 1.00 0.00 H new ATOM 736 N GLN A 53 27.804 4.992 -7.998 1.00 0.00 N ATOM 737 CA GLN A 53 28.805 5.015 -6.935 1.00 0.00 C ATOM 738 C GLN A 53 28.841 6.373 -6.248 1.00 0.00 C ATOM 739 O GLN A 53 28.862 6.456 -5.018 1.00 0.00 O ATOM 740 CB GLN A 53 30.194 4.684 -7.487 1.00 0.00 C ATOM 741 CG GLN A 53 30.368 3.228 -7.887 1.00 0.00 C ATOM 742 CD GLN A 53 30.193 2.272 -6.722 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.440 2.625 -5.568 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.780 1.049 -7.014 1.00 0.00 N ATOM 0 H GLN A 53 28.162 4.701 -8.908 1.00 0.00 H new ATOM 0 HA GLN A 53 28.523 4.257 -6.204 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.389 5.314 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.942 4.936 -6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.646 2.981 -8.665 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.360 3.091 -8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.585 0.794 -7.982 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.656 0.361 -6.271 1.00 0.00 H new ATOM 753 N SER A 54 28.827 7.431 -7.043 1.00 0.00 N ATOM 754 CA SER A 54 28.859 8.782 -6.509 1.00 0.00 C ATOM 755 C SER A 54 27.525 9.143 -5.866 1.00 0.00 C ATOM 756 O SER A 54 27.488 9.772 -4.810 1.00 0.00 O ATOM 757 CB SER A 54 29.197 9.778 -7.614 1.00 0.00 C ATOM 758 OG SER A 54 30.400 9.412 -8.269 1.00 0.00 O ATOM 0 H SER A 54 28.794 7.380 -8.061 1.00 0.00 H new ATOM 0 HA SER A 54 29.632 8.828 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.382 9.818 -8.336 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.297 10.778 -7.191 1.00 0.00 H new ATOM 0 HG SER A 54 30.599 10.062 -8.975 1.00 0.00 H new ATOM 764 N LEU A 55 26.431 8.734 -6.493 1.00 0.00 N ATOM 765 CA LEU A 55 25.107 9.021 -5.976 1.00 0.00 C ATOM 766 C LEU A 55 24.886 8.362 -4.617 1.00 0.00 C ATOM 767 O LEU A 55 24.251 8.941 -3.737 1.00 0.00 O ATOM 768 CB LEU A 55 24.049 8.553 -6.970 1.00 0.00 C ATOM 769 CG LEU A 55 23.968 9.366 -8.264 1.00 0.00 C ATOM 770 CD1 LEU A 55 22.905 8.794 -9.191 1.00 0.00 C ATOM 771 CD2 LEU A 55 23.676 10.828 -7.952 1.00 0.00 C ATOM 0 H LEU A 55 26.438 8.201 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 55 25.021 10.099 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.248 7.512 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 55 23.076 8.581 -6.480 1.00 0.00 H new ATOM 0 HG LEU A 55 24.931 9.305 -8.772 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.863 9.386 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 55 23.155 7.762 -9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 55 21.935 8.824 -8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 55 23.621 11.394 -8.882 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.726 10.905 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 55 24.472 11.233 -7.327 1.00 0.00 H new ATOM 783 N ALA A 56 25.433 7.167 -4.448 1.00 0.00 N ATOM 784 CA ALA A 56 25.292 6.430 -3.200 1.00 0.00 C ATOM 785 C ALA A 56 26.235 6.966 -2.123 1.00 0.00 C ATOM 786 O ALA A 56 26.083 6.659 -0.941 1.00 0.00 O ATOM 787 CB ALA A 56 25.548 4.950 -3.434 1.00 0.00 C ATOM 0 H ALA A 56 25.980 6.686 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 56 24.270 6.565 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.440 4.409 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 56 24.829 4.566 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 56 26.559 4.812 -3.818 1.00 0.00 H new ATOM 793 N ALA A 57 27.204 7.774 -2.532 1.00 0.00 N ATOM 794 CA ALA A 57 28.144 8.361 -1.599 1.00 0.00 C ATOM 795 C ALA A 57 27.667 9.749 -1.223 1.00 0.00 C ATOM 796 O ALA A 57 27.888 10.225 -0.110 1.00 0.00 O ATOM 797 CB ALA A 57 29.540 8.414 -2.204 1.00 0.00 C ATOM 0 H ALA A 57 27.356 8.035 -3.506 1.00 0.00 H new ATOM 0 HA ALA A 57 28.197 7.744 -0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.231 8.858 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.870 7.404 -2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.521 9.018 -3.111 1.00 0.00 H new ATOM 803 N GLN A 58 26.991 10.389 -2.168 1.00 0.00 N ATOM 804 CA GLN A 58 26.411 11.698 -1.936 1.00 0.00 C ATOM 805 C GLN A 58 25.058 11.578 -1.241 1.00 0.00 C ATOM 806 O GLN A 58 24.543 12.550 -0.694 1.00 0.00 O ATOM 807 CB GLN A 58 26.244 12.455 -3.257 1.00 0.00 C ATOM 808 CG GLN A 58 27.558 12.795 -3.945 1.00 0.00 C ATOM 809 CD GLN A 58 27.360 13.517 -5.269 1.00 0.00 C ATOM 810 OE1 GLN A 58 26.281 13.197 -5.971 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 28.176 14.344 -5.662 1.00 0.00 N flip ATOM 0 H GLN A 58 26.832 10.018 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 58 27.091 12.253 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 58 25.636 11.855 -3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 58 25.695 13.378 -3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 58 28.159 13.418 -3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 58 28.121 11.878 -4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 58 28.994 14.564 -5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 58 28.037 14.812 -6.557 1.00 0.00 H new ATOM 820 N GLY A 59 24.484 10.380 -1.276 1.00 0.00 N ATOM 821 CA GLY A 59 23.156 10.173 -0.727 1.00 0.00 C ATOM 822 C GLY A 59 22.100 10.859 -1.567 1.00 0.00 C ATOM 823 O GLY A 59 21.078 11.314 -1.056 1.00 0.00 O ATOM 0 H GLY A 59 24.916 9.547 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.944 9.105 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.118 10.556 0.293 1.00 0.00 H new ATOM 827 N ARG A 60 22.352 10.923 -2.866 1.00 0.00 N ATOM 828 CA ARG A 60 21.487 11.646 -3.785 1.00 0.00 C ATOM 829 C ARG A 60 20.796 10.701 -4.755 1.00 0.00 C ATOM 830 O ARG A 60 20.472 11.075 -5.882 1.00 0.00 O ATOM 831 CB ARG A 60 22.287 12.700 -4.543 1.00 0.00 C ATOM 832 CG ARG A 60 22.643 13.898 -3.680 1.00 0.00 C ATOM 833 CD ARG A 60 23.317 14.979 -4.493 1.00 0.00 C ATOM 834 NE ARG A 60 23.511 16.204 -3.716 1.00 0.00 N ATOM 835 CZ ARG A 60 24.684 16.614 -3.231 1.00 0.00 C ATOM 836 NH1 ARG A 60 25.789 15.912 -3.453 1.00 0.00 N ATOM 837 NH2 ARG A 60 24.753 17.739 -2.530 1.00 0.00 N ATOM 0 H ARG A 60 23.156 10.479 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 60 20.714 12.143 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.202 12.249 -4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 60 21.711 13.037 -5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 60 21.740 14.297 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 60 23.303 13.583 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 60 24.282 14.618 -4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 60 22.715 15.199 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 60 22.693 16.784 -3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 60 25.745 15.051 -3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 60 26.681 16.234 -3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 60 23.910 18.288 -2.363 1.00 0.00 H new ATOM 0 HH22 ARG A 60 25.649 18.054 -2.158 1.00 0.00 H new ATOM 851 N THR A 61 20.560 9.477 -4.306 1.00 0.00 N ATOM 852 CA THR A 61 19.829 8.502 -5.094 1.00 0.00 C ATOM 853 C THR A 61 18.332 8.800 -5.064 1.00 0.00 C ATOM 854 O THR A 61 17.577 8.229 -4.278 1.00 0.00 O ATOM 855 CB THR A 61 20.103 7.073 -4.586 1.00 0.00 C ATOM 856 OG1 THR A 61 20.266 7.088 -3.158 1.00 0.00 O ATOM 857 CG2 THR A 61 21.352 6.496 -5.237 1.00 0.00 C ATOM 0 H THR A 61 20.867 9.136 -3.395 1.00 0.00 H new ATOM 0 HA THR A 61 20.175 8.572 -6.125 1.00 0.00 H new ATOM 0 HB THR A 61 19.253 6.445 -4.852 1.00 0.00 H new ATOM 0 HG1 THR A 61 20.438 6.178 -2.839 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.524 5.487 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.217 6.464 -6.318 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.210 7.124 -4.997 1.00 0.00 H new ATOM 865 N SER A 62 17.928 9.746 -5.894 1.00 0.00 N ATOM 866 CA SER A 62 16.540 10.157 -5.982 1.00 0.00 C ATOM 867 C SER A 62 15.888 9.499 -7.197 1.00 0.00 C ATOM 868 O SER A 62 16.552 9.277 -8.211 1.00 0.00 O ATOM 869 CB SER A 62 16.468 11.686 -6.085 1.00 0.00 C ATOM 870 OG SER A 62 15.132 12.157 -6.029 1.00 0.00 O ATOM 0 H SER A 62 18.553 10.249 -6.524 1.00 0.00 H new ATOM 0 HA SER A 62 16.001 9.842 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.045 12.132 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.928 12.009 -7.019 1.00 0.00 H new ATOM 0 HG SER A 62 15.127 13.135 -6.096 1.00 0.00 H new ATOM 876 N PRO A 63 14.584 9.174 -7.113 1.00 0.00 N ATOM 877 CA PRO A 63 13.847 8.522 -8.205 1.00 0.00 C ATOM 878 C PRO A 63 13.956 9.280 -9.528 1.00 0.00 C ATOM 879 O PRO A 63 13.989 8.673 -10.598 1.00 0.00 O ATOM 880 CB PRO A 63 12.391 8.505 -7.714 1.00 0.00 C ATOM 881 CG PRO A 63 12.351 9.438 -6.550 1.00 0.00 C ATOM 882 CD PRO A 63 13.723 9.400 -5.945 1.00 0.00 C ATOM 0 HA PRO A 63 14.247 7.530 -8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.708 8.828 -8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.087 7.500 -7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.092 10.448 -6.868 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.597 9.128 -5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.967 10.332 -5.436 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.820 8.601 -5.210 1.00 0.00 H new ATOM 890 N ASN A 64 14.042 10.603 -9.451 1.00 0.00 N ATOM 891 CA ASN A 64 14.128 11.430 -10.652 1.00 0.00 C ATOM 892 C ASN A 64 15.490 11.289 -11.322 1.00 0.00 C ATOM 893 O ASN A 64 15.642 11.583 -12.508 1.00 0.00 O ATOM 894 CB ASN A 64 13.860 12.899 -10.326 1.00 0.00 C ATOM 895 CG ASN A 64 12.407 13.162 -9.978 1.00 0.00 C ATOM 896 OD1 ASN A 64 11.506 12.491 -10.480 1.00 0.00 O ATOM 897 ND2 ASN A 64 12.170 14.139 -9.118 1.00 0.00 N ATOM 0 H ASN A 64 14.054 11.125 -8.575 1.00 0.00 H new ATOM 0 HA ASN A 64 13.363 11.079 -11.344 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.491 13.203 -9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.143 13.515 -11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.211 14.360 -8.848 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.946 14.672 -8.725 1.00 0.00 H new ATOM 904 N LYS A 65 16.482 10.847 -10.563 1.00 0.00 N ATOM 905 CA LYS A 65 17.788 10.552 -11.126 1.00 0.00 C ATOM 906 C LYS A 65 17.731 9.223 -11.857 1.00 0.00 C ATOM 907 O LYS A 65 18.273 9.065 -12.950 1.00 0.00 O ATOM 908 CB LYS A 65 18.845 10.491 -10.033 1.00 0.00 C ATOM 909 CG LYS A 65 18.946 11.774 -9.247 1.00 0.00 C ATOM 910 CD LYS A 65 20.384 12.155 -8.994 1.00 0.00 C ATOM 911 CE LYS A 65 20.464 13.513 -8.336 1.00 0.00 C ATOM 912 NZ LYS A 65 20.090 14.614 -9.263 1.00 0.00 N ATOM 0 H LYS A 65 16.406 10.686 -9.559 1.00 0.00 H new ATOM 0 HA LYS A 65 18.058 11.346 -11.822 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.612 9.671 -9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.813 10.268 -10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.446 12.576 -9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 65 18.425 11.661 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.858 11.408 -8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.934 12.167 -9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.805 13.533 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 65 21.478 13.678 -7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 20.382 15.525 -8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 20.566 14.475 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 19.060 14.613 -9.406 1.00 0.00 H new ATOM 926 N LEU A 66 17.028 8.281 -11.243 1.00 0.00 N ATOM 927 CA LEU A 66 16.944 6.918 -11.743 1.00 0.00 C ATOM 928 C LEU A 66 16.083 6.847 -13.000 1.00 0.00 C ATOM 929 O LEU A 66 16.371 6.080 -13.917 1.00 0.00 O ATOM 930 CB LEU A 66 16.371 6.002 -10.656 1.00 0.00 C ATOM 931 CG LEU A 66 17.012 6.155 -9.270 1.00 0.00 C ATOM 932 CD1 LEU A 66 16.464 5.117 -8.305 1.00 0.00 C ATOM 933 CD2 LEU A 66 18.530 6.060 -9.352 1.00 0.00 C ATOM 0 H LEU A 66 16.501 8.441 -10.385 1.00 0.00 H new ATOM 0 HA LEU A 66 17.948 6.584 -12.004 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.302 6.194 -10.568 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.483 4.967 -10.979 1.00 0.00 H new ATOM 0 HG LEU A 66 16.756 7.145 -8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 66 16.932 5.244 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 66 15.386 5.243 -8.209 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.680 4.118 -8.684 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.956 6.172 -8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 66 18.812 5.090 -9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.910 6.850 -10.000 1.00 0.00 H new ATOM 945 N GLN A 67 15.024 7.653 -13.038 1.00 0.00 N ATOM 946 CA GLN A 67 14.151 7.710 -14.207 1.00 0.00 C ATOM 947 C GLN A 67 14.930 8.186 -15.431 1.00 0.00 C ATOM 948 O GLN A 67 14.671 7.764 -16.558 1.00 0.00 O ATOM 949 CB GLN A 67 12.930 8.611 -13.933 1.00 0.00 C ATOM 950 CG GLN A 67 13.230 10.095 -13.744 1.00 0.00 C ATOM 951 CD GLN A 67 13.331 10.870 -15.048 1.00 0.00 C ATOM 952 OE1 GLN A 67 12.698 10.526 -16.045 1.00 0.00 O ATOM 953 NE2 GLN A 67 14.127 11.927 -15.043 1.00 0.00 N ATOM 0 H GLN A 67 14.751 8.273 -12.276 1.00 0.00 H new ATOM 0 HA GLN A 67 13.781 6.706 -14.414 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.230 8.504 -14.761 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.425 8.245 -13.039 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.448 10.539 -13.128 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.166 10.200 -13.196 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.635 12.179 -14.195 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.233 12.490 -15.887 1.00 0.00 H new ATOM 962 N ALA A 68 15.905 9.052 -15.191 1.00 0.00 N ATOM 963 CA ALA A 68 16.761 9.555 -16.254 1.00 0.00 C ATOM 964 C ALA A 68 17.725 8.476 -16.720 1.00 0.00 C ATOM 965 O ALA A 68 18.072 8.406 -17.903 1.00 0.00 O ATOM 966 CB ALA A 68 17.521 10.791 -15.794 1.00 0.00 C ATOM 0 H ALA A 68 16.123 9.421 -14.265 1.00 0.00 H new ATOM 0 HA ALA A 68 16.129 9.837 -17.096 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.155 11.151 -16.604 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.812 11.571 -15.514 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.140 10.538 -14.934 1.00 0.00 H new ATOM 972 N LEU A 69 18.134 7.624 -15.788 1.00 0.00 N ATOM 973 CA LEU A 69 19.049 6.533 -16.094 1.00 0.00 C ATOM 974 C LEU A 69 18.408 5.548 -17.064 1.00 0.00 C ATOM 975 O LEU A 69 19.095 4.969 -17.897 1.00 0.00 O ATOM 976 CB LEU A 69 19.484 5.807 -14.817 1.00 0.00 C ATOM 977 CG LEU A 69 20.274 6.658 -13.817 1.00 0.00 C ATOM 978 CD1 LEU A 69 20.664 5.831 -12.603 1.00 0.00 C ATOM 979 CD2 LEU A 69 21.513 7.252 -14.476 1.00 0.00 C ATOM 0 H LEU A 69 17.845 7.669 -14.811 1.00 0.00 H new ATOM 0 HA LEU A 69 19.933 6.962 -16.565 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.595 5.420 -14.318 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.092 4.947 -15.097 1.00 0.00 H new ATOM 0 HG LEU A 69 19.635 7.477 -13.487 1.00 0.00 H new ATOM 0 HD11 LEU A 69 21.224 6.452 -11.904 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.765 5.456 -12.114 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.283 4.991 -12.918 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.059 7.852 -13.749 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.154 6.448 -14.837 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.213 7.881 -15.314 1.00 0.00 H new ATOM 991 N ASN A 70 17.088 5.386 -16.965 1.00 0.00 N ATOM 992 CA ASN A 70 16.339 4.498 -17.864 1.00 0.00 C ATOM 993 C ASN A 70 16.587 4.877 -19.320 1.00 0.00 C ATOM 994 O ASN A 70 17.084 4.070 -20.110 1.00 0.00 O ATOM 995 CB ASN A 70 14.835 4.565 -17.534 1.00 0.00 C ATOM 996 CG ASN A 70 13.921 4.093 -18.660 1.00 0.00 C ATOM 997 OD1 ASN A 70 14.270 3.229 -19.457 1.00 0.00 O ATOM 998 ND2 ASN A 70 12.735 4.676 -18.731 1.00 0.00 N ATOM 0 H ASN A 70 16.511 5.859 -16.269 1.00 0.00 H new ATOM 0 HA ASN A 70 16.685 3.475 -17.717 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.643 3.959 -16.648 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.577 5.593 -17.280 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.079 4.410 -19.465 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.477 5.391 -18.051 1.00 0.00 H new ATOM 1005 N MET A 71 16.275 6.121 -19.649 1.00 0.00 N ATOM 1006 CA MET A 71 16.417 6.623 -21.009 1.00 0.00 C ATOM 1007 C MET A 71 17.858 6.523 -21.488 1.00 0.00 C ATOM 1008 O MET A 71 18.127 6.034 -22.584 1.00 0.00 O ATOM 1009 CB MET A 71 15.939 8.068 -21.070 1.00 0.00 C ATOM 1010 CG MET A 71 14.443 8.200 -20.869 1.00 0.00 C ATOM 1011 SD MET A 71 13.905 9.912 -20.672 1.00 0.00 S ATOM 1012 CE MET A 71 14.583 10.289 -19.058 1.00 0.00 C ATOM 0 H MET A 71 15.918 6.809 -18.986 1.00 0.00 H new ATOM 0 HA MET A 71 15.806 6.009 -21.670 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.456 8.650 -20.307 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.211 8.495 -22.035 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.927 7.759 -21.722 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.149 7.629 -19.988 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.086 11.170 -18.651 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.425 9.442 -18.390 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.651 10.485 -19.149 1.00 0.00 H new ATOM 1022 N ARG A 72 18.779 6.978 -20.656 1.00 0.00 N ATOM 1023 CA ARG A 72 20.201 6.930 -20.989 1.00 0.00 C ATOM 1024 C ARG A 72 20.666 5.490 -21.208 1.00 0.00 C ATOM 1025 O ARG A 72 21.312 5.187 -22.210 1.00 0.00 O ATOM 1026 CB ARG A 72 21.043 7.600 -19.895 1.00 0.00 C ATOM 1027 CG ARG A 72 21.260 9.096 -20.104 1.00 0.00 C ATOM 1028 CD ARG A 72 19.954 9.875 -20.093 1.00 0.00 C ATOM 1029 NE ARG A 72 20.170 11.306 -20.291 1.00 0.00 N ATOM 1030 CZ ARG A 72 19.249 12.241 -20.054 1.00 0.00 C ATOM 1031 NH1 ARG A 72 18.044 11.891 -19.623 1.00 0.00 N ATOM 1032 NH2 ARG A 72 19.536 13.523 -20.246 1.00 0.00 N ATOM 0 H ARG A 72 18.572 7.386 -19.744 1.00 0.00 H new ATOM 0 HA ARG A 72 20.341 7.481 -21.919 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.557 7.445 -18.932 1.00 0.00 H new ATOM 0 HB3 ARG A 72 22.014 7.106 -19.845 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.915 9.479 -19.322 1.00 0.00 H new ATOM 0 HG3 ARG A 72 21.769 9.258 -21.054 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.299 9.495 -20.877 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.443 9.713 -19.144 1.00 0.00 H new ATOM 0 HE ARG A 72 21.082 11.609 -20.632 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.822 10.907 -19.473 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.340 12.606 -19.442 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.462 13.794 -20.575 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.830 14.236 -20.064 1.00 0.00 H new ATOM 1046 N PHE A 73 20.317 4.615 -20.275 1.00 0.00 N ATOM 1047 CA PHE A 73 20.698 3.205 -20.331 1.00 0.00 C ATOM 1048 C PHE A 73 20.213 2.554 -21.625 1.00 0.00 C ATOM 1049 O PHE A 73 21.001 1.959 -22.366 1.00 0.00 O ATOM 1050 CB PHE A 73 20.120 2.481 -19.108 1.00 0.00 C ATOM 1051 CG PHE A 73 20.398 1.005 -19.040 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.697 0.521 -19.016 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.349 0.101 -18.981 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.943 -0.838 -18.939 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.587 -1.257 -18.902 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.887 -1.728 -18.881 1.00 0.00 C ATOM 0 H PHE A 73 19.761 4.860 -19.456 1.00 0.00 H new ATOM 0 HA PHE A 73 21.785 3.129 -20.318 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.518 2.950 -18.208 1.00 0.00 H new ATOM 0 HB3 PHE A 73 19.040 2.631 -19.095 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.526 1.212 -19.058 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.332 0.464 -18.997 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.959 -1.203 -18.924 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.760 -1.950 -18.857 1.00 0.00 H new ATOM 0 HZ PHE A 73 21.077 -2.789 -18.819 1.00 0.00 H new ATOM 1066 N ALA A 74 18.925 2.702 -21.902 1.00 0.00 N ATOM 1067 CA ALA A 74 18.318 2.106 -23.082 1.00 0.00 C ATOM 1068 C ALA A 74 18.963 2.610 -24.370 1.00 0.00 C ATOM 1069 O ALA A 74 19.350 1.817 -25.231 1.00 0.00 O ATOM 1070 CB ALA A 74 16.825 2.387 -23.104 1.00 0.00 C ATOM 0 H ALA A 74 18.277 3.234 -21.321 1.00 0.00 H new ATOM 0 HA ALA A 74 18.484 1.030 -23.027 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.383 1.936 -23.992 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.362 1.963 -22.213 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.658 3.464 -23.123 1.00 0.00 H new ATOM 1076 N SER A 75 19.102 3.925 -24.487 1.00 0.00 N ATOM 1077 CA SER A 75 19.594 4.528 -25.719 1.00 0.00 C ATOM 1078 C SER A 75 21.083 4.240 -25.931 1.00 0.00 C ATOM 1079 O SER A 75 21.545 4.145 -27.068 1.00 0.00 O ATOM 1080 CB SER A 75 19.338 6.035 -25.710 1.00 0.00 C ATOM 1081 OG SER A 75 18.040 6.327 -25.227 1.00 0.00 O ATOM 0 H SER A 75 18.882 4.592 -23.747 1.00 0.00 H new ATOM 0 HA SER A 75 19.049 4.080 -26.550 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.082 6.530 -25.086 1.00 0.00 H new ATOM 0 HB3 SER A 75 19.453 6.433 -26.718 1.00 0.00 H new ATOM 0 HG SER A 75 17.403 6.310 -25.971 1.00 0.00 H new ATOM 1087 N SER A 76 21.829 4.079 -24.843 1.00 0.00 N ATOM 1088 CA SER A 76 23.253 3.780 -24.946 1.00 0.00 C ATOM 1089 C SER A 76 23.466 2.371 -25.492 1.00 0.00 C ATOM 1090 O SER A 76 24.389 2.128 -26.272 1.00 0.00 O ATOM 1091 CB SER A 76 23.934 3.937 -23.587 1.00 0.00 C ATOM 1092 OG SER A 76 23.795 5.262 -23.104 1.00 0.00 O ATOM 0 H SER A 76 21.476 4.150 -23.889 1.00 0.00 H new ATOM 0 HA SER A 76 23.704 4.490 -25.640 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.498 3.238 -22.874 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.991 3.686 -23.674 1.00 0.00 H new ATOM 0 HG SER A 76 22.844 5.470 -22.988 1.00 0.00 H new ATOM 1098 N MET A 77 22.598 1.445 -25.097 1.00 0.00 N ATOM 1099 CA MET A 77 22.661 0.083 -25.611 1.00 0.00 C ATOM 1100 C MET A 77 22.157 0.042 -27.044 1.00 0.00 C ATOM 1101 O MET A 77 22.590 -0.789 -27.843 1.00 0.00 O ATOM 1102 CB MET A 77 21.832 -0.864 -24.749 1.00 0.00 C ATOM 1103 CG MET A 77 22.349 -1.005 -23.331 1.00 0.00 C ATOM 1104 SD MET A 77 21.388 -2.174 -22.358 1.00 0.00 S ATOM 1105 CE MET A 77 19.756 -1.445 -22.453 1.00 0.00 C ATOM 0 H MET A 77 21.847 1.612 -24.427 1.00 0.00 H new ATOM 0 HA MET A 77 23.701 -0.242 -25.582 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.803 -0.506 -24.718 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.813 -1.847 -25.219 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.389 -1.329 -23.358 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.331 -0.031 -22.843 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.076 -1.988 -21.796 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.805 -0.401 -22.142 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.391 -1.501 -23.479 1.00 0.00 H new ATOM 1115 N ALA A 78 21.242 0.954 -27.356 1.00 0.00 N ATOM 1116 CA ALA A 78 20.697 1.083 -28.699 1.00 0.00 C ATOM 1117 C ALA A 78 21.803 1.355 -29.710 1.00 0.00 C ATOM 1118 O ALA A 78 21.880 0.698 -30.745 1.00 0.00 O ATOM 1119 CB ALA A 78 19.665 2.197 -28.742 1.00 0.00 C ATOM 0 H ALA A 78 20.860 1.621 -26.686 1.00 0.00 H new ATOM 0 HA ALA A 78 20.215 0.142 -28.963 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.265 2.283 -29.752 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.855 1.970 -28.049 1.00 0.00 H new ATOM 0 HB3 ALA A 78 20.134 3.138 -28.456 1.00 0.00 H new ATOM 1125 N GLU A 79 22.665 2.317 -29.388 1.00 0.00 N ATOM 1126 CA GLU A 79 23.807 2.659 -30.235 1.00 0.00 C ATOM 1127 C GLU A 79 24.670 1.431 -30.513 1.00 0.00 C ATOM 1128 O GLU A 79 25.082 1.189 -31.647 1.00 0.00 O ATOM 1129 CB GLU A 79 24.653 3.737 -29.558 1.00 0.00 C ATOM 1130 CG GLU A 79 23.944 5.073 -29.423 1.00 0.00 C ATOM 1131 CD GLU A 79 23.758 5.768 -30.757 1.00 0.00 C ATOM 1132 OE1 GLU A 79 22.737 5.519 -31.429 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.640 6.566 -31.143 1.00 0.00 O ATOM 0 H GLU A 79 22.593 2.878 -28.539 1.00 0.00 H new ATOM 0 HA GLU A 79 23.425 3.035 -31.184 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.945 3.389 -28.567 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.571 3.879 -30.129 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.970 4.919 -28.958 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.516 5.719 -28.757 1.00 0.00 H new ATOM 1140 N ILE A 80 24.924 0.659 -29.465 1.00 0.00 N ATOM 1141 CA ILE A 80 25.741 -0.546 -29.565 1.00 0.00 C ATOM 1142 C ILE A 80 25.099 -1.573 -30.488 1.00 0.00 C ATOM 1143 O ILE A 80 25.730 -2.073 -31.417 1.00 0.00 O ATOM 1144 CB ILE A 80 25.942 -1.194 -28.183 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.581 -0.200 -27.214 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.794 -2.451 -28.304 1.00 0.00 C ATOM 1147 CD1 ILE A 80 26.706 -0.730 -25.803 1.00 0.00 C ATOM 0 H ILE A 80 24.573 0.847 -28.526 1.00 0.00 H new ATOM 0 HA ILE A 80 26.705 -0.241 -29.973 1.00 0.00 H new ATOM 0 HB ILE A 80 24.967 -1.478 -27.788 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.571 0.069 -27.582 1.00 0.00 H new ATOM 0 HG13 ILE A 80 25.987 0.714 -27.199 1.00 0.00 H new ATOM 0 HG21 ILE A 80 26.927 -2.897 -27.318 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.298 -3.165 -28.961 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.768 -2.192 -28.719 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.168 0.027 -25.169 1.00 0.00 H new ATOM 0 HD12 ILE A 80 25.716 -0.972 -25.416 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.325 -1.628 -25.805 1.00 0.00 H new ATOM 1159 N ALA A 81 23.838 -1.879 -30.215 1.00 0.00 N ATOM 1160 CA ALA A 81 23.104 -2.876 -30.976 1.00 0.00 C ATOM 1161 C ALA A 81 22.946 -2.451 -32.433 1.00 0.00 C ATOM 1162 O ALA A 81 22.979 -3.284 -33.336 1.00 0.00 O ATOM 1163 CB ALA A 81 21.741 -3.113 -30.342 1.00 0.00 C ATOM 0 H ALA A 81 23.300 -1.446 -29.465 1.00 0.00 H new ATOM 0 HA ALA A 81 23.672 -3.806 -30.959 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.197 -3.861 -30.918 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.872 -3.467 -29.319 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.176 -2.181 -30.334 1.00 0.00 H new ATOM 1169 N ALA A 82 22.777 -1.149 -32.651 1.00 0.00 N ATOM 1170 CA ALA A 82 22.600 -0.615 -33.996 1.00 0.00 C ATOM 1171 C ALA A 82 23.885 -0.728 -34.799 1.00 0.00 C ATOM 1172 O ALA A 82 23.870 -1.102 -35.972 1.00 0.00 O ATOM 1173 CB ALA A 82 22.147 0.836 -33.942 1.00 0.00 C ATOM 0 H ALA A 82 22.759 -0.446 -31.913 1.00 0.00 H new ATOM 0 HA ALA A 82 21.829 -1.206 -34.491 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.021 1.216 -34.956 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.198 0.901 -33.409 1.00 0.00 H new ATOM 0 HB3 ALA A 82 22.897 1.432 -33.422 1.00 0.00 H new ATOM 1241 N SER A 89 21.550 -9.055 -36.221 1.00 0.00 N ATOM 1242 CA SER A 89 20.195 -8.517 -36.370 1.00 0.00 C ATOM 1243 C SER A 89 19.681 -7.901 -35.064 1.00 0.00 C ATOM 1244 O SER A 89 19.692 -8.531 -34.002 1.00 0.00 O ATOM 1245 CB SER A 89 19.230 -9.592 -36.887 1.00 0.00 C ATOM 1246 OG SER A 89 19.637 -10.060 -38.165 1.00 0.00 O ATOM 0 HA SER A 89 20.243 -7.718 -37.110 1.00 0.00 H new ATOM 0 HB2 SER A 89 19.194 -10.424 -36.184 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.221 -9.183 -36.948 1.00 0.00 H new ATOM 0 HG SER A 89 20.606 -9.949 -38.260 1.00 0.00 H new ATOM 1252 N LEU A 90 19.218 -6.664 -35.156 1.00 0.00 N ATOM 1253 CA LEU A 90 18.817 -5.907 -33.981 1.00 0.00 C ATOM 1254 C LEU A 90 17.463 -6.366 -33.459 1.00 0.00 C ATOM 1255 O LEU A 90 17.193 -6.285 -32.258 1.00 0.00 O ATOM 1256 CB LEU A 90 18.787 -4.416 -34.300 1.00 0.00 C ATOM 1257 CG LEU A 90 18.613 -3.507 -33.087 1.00 0.00 C ATOM 1258 CD1 LEU A 90 19.480 -2.279 -33.236 1.00 0.00 C ATOM 1259 CD2 LEU A 90 17.156 -3.106 -32.915 1.00 0.00 C ATOM 0 H LEU A 90 19.110 -6.161 -36.037 1.00 0.00 H new ATOM 0 HA LEU A 90 19.553 -6.088 -33.198 1.00 0.00 H new ATOM 0 HB2 LEU A 90 19.714 -4.148 -34.807 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.974 -4.225 -35.000 1.00 0.00 H new ATOM 0 HG LEU A 90 18.921 -4.055 -32.197 1.00 0.00 H new ATOM 0 HD11 LEU A 90 19.351 -1.635 -32.366 1.00 0.00 H new ATOM 0 HD12 LEU A 90 20.525 -2.579 -33.313 1.00 0.00 H new ATOM 0 HD13 LEU A 90 19.191 -1.736 -34.136 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.057 -2.458 -32.044 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.818 -2.573 -33.804 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.547 -3.999 -32.774 1.00 0.00 H new ATOM 1271 N SER A 91 16.619 -6.857 -34.357 1.00 0.00 N ATOM 1272 CA SER A 91 15.303 -7.357 -33.979 1.00 0.00 C ATOM 1273 C SER A 91 15.425 -8.507 -32.980 1.00 0.00 C ATOM 1274 O SER A 91 14.489 -8.798 -32.235 1.00 0.00 O ATOM 1275 CB SER A 91 14.541 -7.804 -35.224 1.00 0.00 C ATOM 1276 OG SER A 91 14.483 -6.754 -36.175 1.00 0.00 O ATOM 0 H SER A 91 16.823 -6.920 -35.354 1.00 0.00 H new ATOM 0 HA SER A 91 14.749 -6.552 -33.496 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.029 -8.674 -35.663 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.531 -8.110 -34.949 1.00 0.00 H new ATOM 0 HG SER A 91 13.993 -7.057 -36.968 1.00 0.00 H new ATOM 1282 N THR A 92 16.584 -9.153 -32.969 1.00 0.00 N ATOM 1283 CA THR A 92 16.874 -10.181 -31.986 1.00 0.00 C ATOM 1284 C THR A 92 17.542 -9.558 -30.756 1.00 0.00 C ATOM 1285 O THR A 92 17.184 -9.865 -29.618 1.00 0.00 O ATOM 1286 CB THR A 92 17.794 -11.269 -32.579 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.249 -11.754 -33.815 1.00 0.00 O ATOM 1288 CG2 THR A 92 17.957 -12.425 -31.609 1.00 0.00 C ATOM 0 H THR A 92 17.339 -8.980 -33.633 1.00 0.00 H new ATOM 0 HA THR A 92 15.932 -10.645 -31.693 1.00 0.00 H new ATOM 0 HB THR A 92 18.772 -10.825 -32.762 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.840 -12.443 -34.185 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.609 -13.180 -32.049 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.397 -12.061 -30.680 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.982 -12.865 -31.401 1.00 0.00 H new ATOM 1296 N LYS A 93 18.489 -8.652 -31.008 1.00 0.00 N ATOM 1297 CA LYS A 93 19.263 -8.001 -29.949 1.00 0.00 C ATOM 1298 C LYS A 93 18.375 -7.358 -28.886 1.00 0.00 C ATOM 1299 O LYS A 93 18.636 -7.489 -27.689 1.00 0.00 O ATOM 1300 CB LYS A 93 20.182 -6.928 -30.539 1.00 0.00 C ATOM 1301 CG LYS A 93 21.356 -7.480 -31.328 1.00 0.00 C ATOM 1302 CD LYS A 93 22.279 -6.361 -31.783 1.00 0.00 C ATOM 1303 CE LYS A 93 23.571 -6.895 -32.373 1.00 0.00 C ATOM 1304 NZ LYS A 93 23.324 -7.706 -33.589 1.00 0.00 N ATOM 0 H LYS A 93 18.740 -8.350 -31.949 1.00 0.00 H new ATOM 0 HA LYS A 93 19.852 -8.784 -29.472 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.594 -6.280 -31.189 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.563 -6.306 -29.729 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.912 -8.188 -30.713 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.990 -8.030 -32.195 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.767 -5.748 -32.525 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.507 -5.713 -30.937 1.00 0.00 H new ATOM 0 HE2 LYS A 93 24.230 -6.063 -32.618 1.00 0.00 H new ATOM 0 HE3 LYS A 93 24.087 -7.502 -31.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 24.148 -7.644 -34.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.169 -8.698 -33.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.482 -7.346 -34.081 1.00 0.00 H new ATOM 1318 N THR A 94 17.325 -6.673 -29.326 1.00 0.00 N ATOM 1319 CA THR A 94 16.454 -5.940 -28.415 1.00 0.00 C ATOM 1320 C THR A 94 15.713 -6.880 -27.457 1.00 0.00 C ATOM 1321 O THR A 94 15.219 -6.454 -26.413 1.00 0.00 O ATOM 1322 CB THR A 94 15.445 -5.057 -29.188 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.638 -4.308 -28.274 1.00 0.00 O ATOM 1324 CG2 THR A 94 14.552 -5.896 -30.092 1.00 0.00 C ATOM 0 H THR A 94 17.057 -6.610 -30.308 1.00 0.00 H new ATOM 0 HA THR A 94 17.095 -5.290 -27.820 1.00 0.00 H new ATOM 0 HB THR A 94 16.017 -4.371 -29.813 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.905 -3.878 -28.762 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.855 -5.245 -30.620 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.167 -6.432 -30.815 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.994 -6.612 -29.489 1.00 0.00 H new ATOM 1332 N SER A 95 15.639 -8.158 -27.809 1.00 0.00 N ATOM 1333 CA SER A 95 15.030 -9.151 -26.953 1.00 0.00 C ATOM 1334 C SER A 95 16.078 -9.779 -26.038 1.00 0.00 C ATOM 1335 O SER A 95 15.817 -10.050 -24.864 1.00 0.00 O ATOM 1336 CB SER A 95 14.372 -10.214 -27.825 1.00 0.00 C ATOM 1337 OG SER A 95 13.446 -9.623 -28.723 1.00 0.00 O ATOM 0 H SER A 95 15.998 -8.526 -28.690 1.00 0.00 H new ATOM 0 HA SER A 95 14.275 -8.680 -26.323 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.135 -10.755 -28.385 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.861 -10.943 -27.196 1.00 0.00 H new ATOM 0 HG SER A 95 13.035 -10.321 -29.275 1.00 0.00 H new ATOM 1343 N SER A 96 17.269 -9.986 -26.584 1.00 0.00 N ATOM 1344 CA SER A 96 18.377 -10.575 -25.846 1.00 0.00 C ATOM 1345 C SER A 96 18.716 -9.759 -24.598 1.00 0.00 C ATOM 1346 O SER A 96 18.936 -10.317 -23.520 1.00 0.00 O ATOM 1347 CB SER A 96 19.594 -10.661 -26.758 1.00 0.00 C ATOM 1348 OG SER A 96 19.273 -11.332 -27.964 1.00 0.00 O ATOM 0 H SER A 96 17.494 -9.750 -27.551 1.00 0.00 H new ATOM 0 HA SER A 96 18.083 -11.572 -25.519 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.959 -9.658 -26.981 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.400 -11.187 -26.247 1.00 0.00 H new ATOM 0 HG SER A 96 18.723 -10.748 -28.527 1.00 0.00 H new ATOM 1354 N ILE A 97 18.736 -8.437 -24.746 1.00 0.00 N ATOM 1355 CA ILE A 97 19.055 -7.548 -23.635 1.00 0.00 C ATOM 1356 C ILE A 97 18.066 -7.732 -22.487 1.00 0.00 C ATOM 1357 O ILE A 97 18.462 -7.947 -21.343 1.00 0.00 O ATOM 1358 CB ILE A 97 19.044 -6.067 -24.064 1.00 0.00 C ATOM 1359 CG1 ILE A 97 20.020 -5.836 -25.223 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.392 -5.174 -22.877 1.00 0.00 C ATOM 1361 CD1 ILE A 97 20.037 -4.408 -25.725 1.00 0.00 C ATOM 0 H ILE A 97 18.535 -7.959 -25.624 1.00 0.00 H new ATOM 0 HA ILE A 97 20.059 -7.813 -23.304 1.00 0.00 H new ATOM 0 HB ILE A 97 18.043 -5.809 -24.409 1.00 0.00 H new ATOM 0 HG12 ILE A 97 21.024 -6.111 -24.902 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.756 -6.499 -26.047 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.381 -4.130 -23.191 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.659 -5.322 -22.084 1.00 0.00 H new ATOM 0 HG23 ILE A 97 20.384 -5.431 -22.507 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.750 -4.319 -26.545 1.00 0.00 H new ATOM 0 HD12 ILE A 97 19.043 -4.134 -26.078 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.331 -3.741 -24.915 1.00 0.00 H new ATOM 1373 N ALA A 98 16.778 -7.679 -22.812 1.00 0.00 N ATOM 1374 CA ALA A 98 15.725 -7.758 -21.807 1.00 0.00 C ATOM 1375 C ALA A 98 15.771 -9.077 -21.043 1.00 0.00 C ATOM 1376 O ALA A 98 15.484 -9.118 -19.846 1.00 0.00 O ATOM 1377 CB ALA A 98 14.366 -7.568 -22.455 1.00 0.00 C ATOM 0 H ALA A 98 16.438 -7.581 -23.769 1.00 0.00 H new ATOM 0 HA ALA A 98 15.892 -6.957 -21.087 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.588 -7.629 -21.694 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.326 -6.591 -22.937 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.206 -8.347 -23.200 1.00 0.00 H new ATOM 1383 N SER A 99 16.153 -10.148 -21.726 1.00 0.00 N ATOM 1384 CA SER A 99 16.224 -11.455 -21.100 1.00 0.00 C ATOM 1385 C SER A 99 17.369 -11.478 -20.091 1.00 0.00 C ATOM 1386 O SER A 99 17.226 -11.987 -18.977 1.00 0.00 O ATOM 1387 CB SER A 99 16.409 -12.537 -22.169 1.00 0.00 C ATOM 1388 OG SER A 99 16.343 -13.839 -21.611 1.00 0.00 O ATOM 0 H SER A 99 16.417 -10.134 -22.711 1.00 0.00 H new ATOM 0 HA SER A 99 15.293 -11.658 -20.570 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.640 -12.429 -22.934 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.371 -12.401 -22.663 1.00 0.00 H new ATOM 0 HG SER A 99 16.463 -14.505 -22.320 1.00 0.00 H new ATOM 1394 N ALA A 100 18.496 -10.881 -20.474 1.00 0.00 N ATOM 1395 CA ALA A 100 19.651 -10.790 -19.591 1.00 0.00 C ATOM 1396 C ALA A 100 19.358 -9.860 -18.419 1.00 0.00 C ATOM 1397 O ALA A 100 19.799 -10.104 -17.298 1.00 0.00 O ATOM 1398 CB ALA A 100 20.872 -10.307 -20.357 1.00 0.00 C ATOM 0 H ALA A 100 18.631 -10.454 -21.390 1.00 0.00 H new ATOM 0 HA ALA A 100 19.860 -11.785 -19.198 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.725 -10.245 -19.681 1.00 0.00 H new ATOM 0 HB2 ALA A 100 21.097 -11.007 -21.162 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.671 -9.322 -20.778 1.00 0.00 H new ATOM 1404 N MET A 101 18.603 -8.796 -18.685 1.00 0.00 N ATOM 1405 CA MET A 101 18.200 -7.860 -17.649 1.00 0.00 C ATOM 1406 C MET A 101 17.292 -8.540 -16.631 1.00 0.00 C ATOM 1407 O MET A 101 17.470 -8.383 -15.423 1.00 0.00 O ATOM 1408 CB MET A 101 17.488 -6.670 -18.278 1.00 0.00 C ATOM 1409 CG MET A 101 18.429 -5.694 -18.960 1.00 0.00 C ATOM 1410 SD MET A 101 17.576 -4.611 -20.118 1.00 0.00 S ATOM 1411 CE MET A 101 16.101 -4.243 -19.185 1.00 0.00 C ATOM 0 H MET A 101 18.259 -8.564 -19.617 1.00 0.00 H new ATOM 0 HA MET A 101 19.092 -7.510 -17.129 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.764 -7.034 -19.007 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.927 -6.143 -17.506 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.931 -5.090 -18.204 1.00 0.00 H new ATOM 0 HG3 MET A 101 19.203 -6.250 -19.490 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.502 -3.510 -19.725 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.520 -5.155 -19.048 1.00 0.00 H new ATOM 0 HE3 MET A 101 16.378 -3.839 -18.211 1.00 0.00 H new ATOM 1421 N SER A 102 16.327 -9.307 -17.130 1.00 0.00 N ATOM 1422 CA SER A 102 15.427 -10.064 -16.270 1.00 0.00 C ATOM 1423 C SER A 102 16.218 -11.051 -15.419 1.00 0.00 C ATOM 1424 O SER A 102 16.038 -11.140 -14.205 1.00 0.00 O ATOM 1425 CB SER A 102 14.400 -10.814 -17.121 1.00 0.00 C ATOM 1426 OG SER A 102 13.690 -9.925 -17.969 1.00 0.00 O ATOM 0 H SER A 102 16.149 -9.420 -18.128 1.00 0.00 H new ATOM 0 HA SER A 102 14.905 -9.371 -15.610 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.905 -11.570 -17.723 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.699 -11.339 -16.472 1.00 0.00 H new ATOM 0 HG SER A 102 14.284 -9.608 -18.681 1.00 0.00 H new ATOM 1432 N ASN A 103 17.112 -11.769 -16.079 1.00 0.00 N ATOM 1433 CA ASN A 103 17.979 -12.744 -15.425 1.00 0.00 C ATOM 1434 C ASN A 103 18.857 -12.075 -14.365 1.00 0.00 C ATOM 1435 O ASN A 103 19.098 -12.639 -13.300 1.00 0.00 O ATOM 1436 CB ASN A 103 18.854 -13.419 -16.487 1.00 0.00 C ATOM 1437 CG ASN A 103 19.817 -14.436 -15.914 1.00 0.00 C ATOM 1438 OD1 ASN A 103 19.521 -15.111 -14.933 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.979 -14.557 -16.536 1.00 0.00 N ATOM 0 H ASN A 103 17.260 -11.694 -17.085 1.00 0.00 H new ATOM 0 HA ASN A 103 17.362 -13.489 -14.923 1.00 0.00 H new ATOM 0 HB2 ASN A 103 18.212 -13.910 -17.218 1.00 0.00 H new ATOM 0 HB3 ASN A 103 19.419 -12.655 -17.021 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.668 -15.231 -16.203 1.00 0.00 H new ATOM 0 HD22 ASN A 103 21.185 -13.976 -17.349 1.00 0.00 H new ATOM 1446 N ALA A 104 19.318 -10.863 -14.655 1.00 0.00 N ATOM 1447 CA ALA A 104 20.174 -10.126 -13.732 1.00 0.00 C ATOM 1448 C ALA A 104 19.421 -9.763 -12.455 1.00 0.00 C ATOM 1449 O ALA A 104 19.981 -9.824 -11.358 1.00 0.00 O ATOM 1450 CB ALA A 104 20.727 -8.883 -14.404 1.00 0.00 C ATOM 0 H ALA A 104 19.113 -10.369 -15.524 1.00 0.00 H new ATOM 0 HA ALA A 104 21.009 -10.769 -13.453 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.364 -8.343 -13.703 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.312 -9.171 -15.278 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.903 -8.240 -14.715 1.00 0.00 H new ATOM 1456 N PHE A 105 18.151 -9.392 -12.595 1.00 0.00 N ATOM 1457 CA PHE A 105 17.300 -9.131 -11.437 1.00 0.00 C ATOM 1458 C PHE A 105 17.157 -10.384 -10.585 1.00 0.00 C ATOM 1459 O PHE A 105 17.159 -10.327 -9.352 1.00 0.00 O ATOM 1460 CB PHE A 105 15.917 -8.660 -11.877 1.00 0.00 C ATOM 1461 CG PHE A 105 15.827 -7.188 -12.140 1.00 0.00 C ATOM 1462 CD1 PHE A 105 15.996 -6.282 -11.107 1.00 0.00 C ATOM 1463 CD2 PHE A 105 15.555 -6.711 -13.410 1.00 0.00 C ATOM 1464 CE1 PHE A 105 15.899 -4.926 -11.335 1.00 0.00 C ATOM 1465 CE2 PHE A 105 15.457 -5.355 -13.648 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.627 -4.461 -12.609 1.00 0.00 C ATOM 0 H PHE A 105 17.689 -9.266 -13.496 1.00 0.00 H new ATOM 0 HA PHE A 105 17.773 -8.346 -10.847 1.00 0.00 H new ATOM 0 HB2 PHE A 105 15.633 -9.198 -12.781 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.193 -8.926 -11.107 1.00 0.00 H new ATOM 0 HD1 PHE A 105 16.206 -6.642 -10.111 1.00 0.00 H new ATOM 0 HD2 PHE A 105 15.418 -7.407 -14.224 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.035 -4.229 -10.521 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.248 -4.994 -14.644 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.548 -3.399 -12.791 1.00 0.00 H new ATOM 1476 N LEU A 106 17.044 -11.512 -11.263 1.00 0.00 N ATOM 1477 CA LEU A 106 16.916 -12.807 -10.616 1.00 0.00 C ATOM 1478 C LEU A 106 18.116 -13.104 -9.721 1.00 0.00 C ATOM 1479 O LEU A 106 17.967 -13.646 -8.626 1.00 0.00 O ATOM 1480 CB LEU A 106 16.764 -13.892 -11.687 1.00 0.00 C ATOM 1481 CG LEU A 106 15.326 -14.286 -12.036 1.00 0.00 C ATOM 1482 CD1 LEU A 106 14.444 -13.061 -12.233 1.00 0.00 C ATOM 1483 CD2 LEU A 106 15.306 -15.156 -13.282 1.00 0.00 C ATOM 0 H LEU A 106 17.038 -11.557 -12.282 1.00 0.00 H new ATOM 0 HA LEU A 106 16.031 -12.794 -9.979 1.00 0.00 H new ATOM 0 HB2 LEU A 106 17.258 -13.550 -12.596 1.00 0.00 H new ATOM 0 HB3 LEU A 106 17.294 -14.784 -11.352 1.00 0.00 H new ATOM 0 HG LEU A 106 14.923 -14.855 -11.198 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.431 -13.378 -12.479 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.427 -12.473 -11.315 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.842 -12.453 -13.046 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.278 -15.429 -13.519 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.737 -14.605 -14.118 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.889 -16.059 -13.104 1.00 0.00 H new ATOM 1495 N GLN A 107 19.299 -12.712 -10.170 1.00 0.00 N ATOM 1496 CA GLN A 107 20.524 -13.002 -9.439 1.00 0.00 C ATOM 1497 C GLN A 107 20.756 -11.985 -8.327 1.00 0.00 C ATOM 1498 O GLN A 107 21.341 -12.306 -7.291 1.00 0.00 O ATOM 1499 CB GLN A 107 21.724 -13.014 -10.390 1.00 0.00 C ATOM 1500 CG GLN A 107 21.465 -13.785 -11.673 1.00 0.00 C ATOM 1501 CD GLN A 107 20.933 -15.181 -11.419 1.00 0.00 C ATOM 1502 OE1 GLN A 107 21.296 -15.835 -10.442 1.00 0.00 O ATOM 1503 NE2 GLN A 107 20.040 -15.626 -12.280 1.00 0.00 N ATOM 0 H GLN A 107 19.437 -12.192 -11.037 1.00 0.00 H new ATOM 0 HA GLN A 107 20.416 -13.988 -8.987 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.992 -11.987 -10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.581 -13.452 -9.878 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.751 -13.234 -12.285 1.00 0.00 H new ATOM 0 HG3 GLN A 107 22.390 -13.852 -12.245 1.00 0.00 H new ATOM 0 HE21 GLN A 107 19.768 -15.050 -13.077 1.00 0.00 H new ATOM 0 HE22 GLN A 107 19.621 -16.547 -12.150 1.00 0.00 H new ATOM 1512 N THR A 108 20.271 -10.769 -8.529 1.00 0.00 N ATOM 1513 CA THR A 108 20.522 -9.690 -7.590 1.00 0.00 C ATOM 1514 C THR A 108 19.529 -9.705 -6.435 1.00 0.00 C ATOM 1515 O THR A 108 19.895 -9.969 -5.290 1.00 0.00 O ATOM 1516 CB THR A 108 20.462 -8.325 -8.298 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.336 -8.282 -9.181 1.00 0.00 O ATOM 1518 CG2 THR A 108 21.730 -8.068 -9.087 1.00 0.00 C ATOM 0 H THR A 108 19.702 -10.507 -9.334 1.00 0.00 H new ATOM 0 HA THR A 108 21.523 -9.845 -7.186 1.00 0.00 H new ATOM 0 HB THR A 108 20.362 -7.552 -7.536 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.574 -8.698 -10.036 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.663 -7.097 -9.578 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.586 -8.075 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.855 -8.847 -9.839 1.00 0.00 H new ATOM 1526 N THR A 109 18.272 -9.443 -6.744 1.00 0.00 N ATOM 1527 CA THR A 109 17.247 -9.303 -5.723 1.00 0.00 C ATOM 1528 C THR A 109 16.289 -10.493 -5.726 1.00 0.00 C ATOM 1529 O THR A 109 15.522 -10.684 -4.780 1.00 0.00 O ATOM 1530 CB THR A 109 16.473 -7.976 -5.918 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.306 -7.929 -5.085 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.085 -7.784 -7.377 1.00 0.00 C ATOM 0 H THR A 109 17.934 -9.322 -7.699 1.00 0.00 H new ATOM 0 HA THR A 109 17.740 -9.282 -4.751 1.00 0.00 H new ATOM 0 HB THR A 109 17.136 -7.162 -5.624 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.096 -8.831 -4.765 1.00 0.00 H new ATOM 0 HG21 THR A 109 15.542 -6.845 -7.489 1.00 0.00 H new ATOM 0 HG22 THR A 109 16.984 -7.759 -7.992 1.00 0.00 H new ATOM 0 HG23 THR A 109 15.450 -8.610 -7.696 1.00 0.00 H new ATOM 1540 N GLY A 110 16.337 -11.290 -6.786 1.00 0.00 N ATOM 1541 CA GLY A 110 15.498 -12.473 -6.868 1.00 0.00 C ATOM 1542 C GLY A 110 14.106 -12.153 -7.368 1.00 0.00 C ATOM 1543 O GLY A 110 13.222 -13.013 -7.375 1.00 0.00 O ATOM 0 H GLY A 110 16.943 -11.139 -7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.963 -13.201 -7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.431 -12.938 -5.884 1.00 0.00 H new ATOM 1547 N VAL A 111 13.911 -10.907 -7.766 1.00 0.00 N ATOM 1548 CA VAL A 111 12.650 -10.453 -8.333 1.00 0.00 C ATOM 1549 C VAL A 111 12.954 -9.601 -9.544 1.00 0.00 C ATOM 1550 O VAL A 111 13.936 -8.863 -9.552 1.00 0.00 O ATOM 1551 CB VAL A 111 11.811 -9.615 -7.339 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.393 -9.424 -7.859 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.792 -10.247 -5.957 1.00 0.00 C ATOM 0 H VAL A 111 14.623 -10.180 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 111 12.065 -11.336 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 111 12.283 -8.637 -7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.820 -8.832 -7.145 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.424 -8.906 -8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.918 -10.397 -7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.194 -9.633 -5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.358 -11.245 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.810 -10.317 -5.575 1.00 0.00 H new ATOM 1563 N VAL A 112 12.129 -9.699 -10.561 1.00 0.00 N ATOM 1564 CA VAL A 112 12.369 -8.967 -11.787 1.00 0.00 C ATOM 1565 C VAL A 112 11.279 -7.925 -12.025 1.00 0.00 C ATOM 1566 O VAL A 112 10.088 -8.225 -11.949 1.00 0.00 O ATOM 1567 CB VAL A 112 12.498 -9.917 -13.001 1.00 0.00 C ATOM 1568 CG1 VAL A 112 11.299 -10.841 -13.112 1.00 0.00 C ATOM 1569 CG2 VAL A 112 12.693 -9.134 -14.286 1.00 0.00 C ATOM 0 H VAL A 112 11.288 -10.276 -10.566 1.00 0.00 H new ATOM 0 HA VAL A 112 13.319 -8.445 -11.675 1.00 0.00 H new ATOM 0 HB VAL A 112 13.381 -10.535 -12.841 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.422 -11.495 -13.975 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.220 -11.445 -12.208 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.392 -10.248 -13.233 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.781 -9.826 -15.124 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.838 -8.478 -14.446 1.00 0.00 H new ATOM 0 HG23 VAL A 112 13.601 -8.535 -14.213 1.00 0.00 H new ATOM 1579 N ASN A 113 11.701 -6.692 -12.275 1.00 0.00 N ATOM 1580 CA ASN A 113 10.774 -5.599 -12.538 1.00 0.00 C ATOM 1581 C ASN A 113 10.480 -5.530 -14.032 1.00 0.00 C ATOM 1582 O ASN A 113 11.267 -4.984 -14.808 1.00 0.00 O ATOM 1583 CB ASN A 113 11.360 -4.270 -12.031 1.00 0.00 C ATOM 1584 CG ASN A 113 10.400 -3.093 -12.152 1.00 0.00 C ATOM 1585 OD1 ASN A 113 9.596 -3.014 -13.077 1.00 0.00 O ATOM 1586 ND2 ASN A 113 10.483 -2.165 -11.213 1.00 0.00 N ATOM 0 H ASN A 113 12.685 -6.423 -12.301 1.00 0.00 H new ATOM 0 HA ASN A 113 9.840 -5.779 -12.005 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.650 -4.386 -10.987 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.268 -4.046 -12.591 1.00 0.00 H new ATOM 0 HD21 ASN A 113 9.867 -1.352 -11.243 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.163 -2.262 -10.459 1.00 0.00 H new ATOM 1593 N GLN A 114 9.355 -6.109 -14.426 1.00 0.00 N ATOM 1594 CA GLN A 114 8.966 -6.165 -15.831 1.00 0.00 C ATOM 1595 C GLN A 114 8.634 -4.773 -16.395 1.00 0.00 C ATOM 1596 O GLN A 114 9.099 -4.441 -17.485 1.00 0.00 O ATOM 1597 CB GLN A 114 7.787 -7.128 -16.029 1.00 0.00 C ATOM 1598 CG GLN A 114 7.408 -7.347 -17.490 1.00 0.00 C ATOM 1599 CD GLN A 114 8.536 -7.953 -18.306 1.00 0.00 C ATOM 1600 OE1 GLN A 114 8.675 -9.172 -18.392 1.00 0.00 O ATOM 1601 NE2 GLN A 114 9.344 -7.104 -18.918 1.00 0.00 N ATOM 0 H GLN A 114 8.691 -6.550 -13.789 1.00 0.00 H new ATOM 0 HA GLN A 114 9.823 -6.543 -16.389 1.00 0.00 H new ATOM 0 HB2 GLN A 114 8.036 -8.090 -15.580 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.920 -6.741 -15.493 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.537 -8.001 -17.541 1.00 0.00 H new ATOM 0 HG3 GLN A 114 7.117 -6.394 -17.932 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.196 -6.099 -18.822 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.116 -7.454 -19.486 1.00 0.00 H new ATOM 1610 N PRO A 115 7.827 -3.939 -15.687 1.00 0.00 N ATOM 1611 CA PRO A 115 7.523 -2.569 -16.128 1.00 0.00 C ATOM 1612 C PRO A 115 8.756 -1.794 -16.567 1.00 0.00 C ATOM 1613 O PRO A 115 8.747 -1.123 -17.600 1.00 0.00 O ATOM 1614 CB PRO A 115 6.940 -1.918 -14.878 1.00 0.00 C ATOM 1615 CG PRO A 115 6.293 -3.035 -14.140 1.00 0.00 C ATOM 1616 CD PRO A 115 7.113 -4.265 -14.430 1.00 0.00 C ATOM 0 HA PRO A 115 6.861 -2.574 -16.994 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.717 -1.445 -14.278 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.219 -1.142 -15.135 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.266 -2.830 -13.070 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.261 -3.170 -14.465 1.00 0.00 H new ATOM 0 HD2 PRO A 115 7.810 -4.479 -13.620 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.482 -5.146 -14.548 1.00 0.00 H new ATOM 1624 N PHE A 116 9.818 -1.907 -15.783 1.00 0.00 N ATOM 1625 CA PHE A 116 11.026 -1.145 -16.020 1.00 0.00 C ATOM 1626 C PHE A 116 11.712 -1.647 -17.277 1.00 0.00 C ATOM 1627 O PHE A 116 12.201 -0.870 -18.094 1.00 0.00 O ATOM 1628 CB PHE A 116 11.962 -1.272 -14.820 1.00 0.00 C ATOM 1629 CG PHE A 116 12.911 -0.119 -14.681 1.00 0.00 C ATOM 1630 CD1 PHE A 116 12.472 1.077 -14.145 1.00 0.00 C ATOM 1631 CD2 PHE A 116 14.234 -0.232 -15.076 1.00 0.00 C ATOM 1632 CE1 PHE A 116 13.337 2.147 -14.005 1.00 0.00 C ATOM 1633 CE2 PHE A 116 15.103 0.835 -14.939 1.00 0.00 C ATOM 1634 CZ PHE A 116 14.653 2.026 -14.403 1.00 0.00 C ATOM 0 H PHE A 116 9.863 -2.525 -14.973 1.00 0.00 H new ATOM 0 HA PHE A 116 10.768 -0.095 -16.155 1.00 0.00 H new ATOM 0 HB2 PHE A 116 11.366 -1.354 -13.911 1.00 0.00 H new ATOM 0 HB3 PHE A 116 12.534 -2.195 -14.911 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.443 1.177 -13.832 1.00 0.00 H new ATOM 0 HD2 PHE A 116 14.590 -1.162 -15.495 1.00 0.00 H new ATOM 0 HE1 PHE A 116 12.983 3.077 -13.585 1.00 0.00 H new ATOM 0 HE2 PHE A 116 16.132 0.737 -15.251 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.330 2.861 -14.296 1.00 0.00 H new ATOM 1644 N ILE A 117 11.714 -2.964 -17.435 1.00 0.00 N ATOM 1645 CA ILE A 117 12.311 -3.594 -18.595 1.00 0.00 C ATOM 1646 C ILE A 117 11.539 -3.229 -19.860 1.00 0.00 C ATOM 1647 O ILE A 117 12.126 -3.021 -20.924 1.00 0.00 O ATOM 1648 CB ILE A 117 12.368 -5.128 -18.423 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.273 -5.481 -17.239 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.852 -5.804 -19.700 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.434 -6.965 -17.017 1.00 0.00 C ATOM 0 H ILE A 117 11.305 -3.617 -16.767 1.00 0.00 H new ATOM 0 HA ILE A 117 13.332 -3.224 -18.691 1.00 0.00 H new ATOM 0 HB ILE A 117 11.362 -5.496 -18.220 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.256 -5.038 -17.400 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.865 -5.030 -16.335 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.883 -6.883 -19.551 1.00 0.00 H new ATOM 0 HG22 ILE A 117 12.170 -5.570 -20.517 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.851 -5.443 -19.947 1.00 0.00 H new ATOM 0 HD11 ILE A 117 14.088 -7.136 -16.162 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.459 -7.412 -16.823 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.872 -7.420 -17.905 1.00 0.00 H new ATOM 1663 N ASN A 118 10.223 -3.124 -19.724 1.00 0.00 N ATOM 1664 CA ASN A 118 9.357 -2.751 -20.838 1.00 0.00 C ATOM 1665 C ASN A 118 9.717 -1.371 -21.374 1.00 0.00 C ATOM 1666 O ASN A 118 9.671 -1.133 -22.581 1.00 0.00 O ATOM 1667 CB ASN A 118 7.883 -2.777 -20.420 1.00 0.00 C ATOM 1668 CG ASN A 118 7.363 -4.184 -20.196 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.828 -5.139 -20.818 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.388 -4.324 -19.312 1.00 0.00 N ATOM 0 H ASN A 118 9.729 -3.293 -18.848 1.00 0.00 H new ATOM 0 HA ASN A 118 9.510 -3.484 -21.630 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.759 -2.198 -19.505 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.283 -2.290 -21.189 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.996 -5.247 -19.127 1.00 0.00 H new ATOM 0 HD22 ASN A 118 6.028 -3.509 -18.816 1.00 0.00 H new ATOM 1677 N GLU A 119 10.086 -0.468 -20.475 1.00 0.00 N ATOM 1678 CA GLU A 119 10.463 0.881 -20.870 1.00 0.00 C ATOM 1679 C GLU A 119 11.749 0.858 -21.687 1.00 0.00 C ATOM 1680 O GLU A 119 11.823 1.464 -22.753 1.00 0.00 O ATOM 1681 CB GLU A 119 10.617 1.777 -19.642 1.00 0.00 C ATOM 1682 CG GLU A 119 9.362 1.835 -18.788 1.00 0.00 C ATOM 1683 CD GLU A 119 9.428 2.887 -17.703 1.00 0.00 C ATOM 1684 OE1 GLU A 119 10.160 2.692 -16.717 1.00 0.00 O ATOM 1685 OE2 GLU A 119 8.728 3.916 -17.830 1.00 0.00 O ATOM 0 H GLU A 119 10.132 -0.645 -19.472 1.00 0.00 H new ATOM 0 HA GLU A 119 9.669 1.293 -21.494 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.446 1.413 -19.035 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.877 2.785 -19.965 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.503 2.036 -19.429 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.196 0.860 -18.330 1.00 0.00 H new ATOM 1692 N ILE A 120 12.750 0.133 -21.195 1.00 0.00 N ATOM 1693 CA ILE A 120 14.012 -0.010 -21.909 1.00 0.00 C ATOM 1694 C ILE A 120 13.792 -0.588 -23.314 1.00 0.00 C ATOM 1695 O ILE A 120 14.294 -0.042 -24.296 1.00 0.00 O ATOM 1696 CB ILE A 120 15.026 -0.891 -21.119 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.779 -0.062 -20.067 1.00 0.00 C ATOM 1698 CG2 ILE A 120 16.026 -1.561 -22.053 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.936 0.397 -18.895 1.00 0.00 C ATOM 0 H ILE A 120 12.710 -0.364 -20.305 1.00 0.00 H new ATOM 0 HA ILE A 120 14.437 0.989 -22.006 1.00 0.00 H new ATOM 0 HB ILE A 120 14.449 -1.665 -20.612 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.612 -0.654 -19.687 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.206 0.815 -20.554 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.719 -2.168 -21.470 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.494 -2.197 -22.760 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.582 -0.798 -22.598 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.553 0.974 -18.207 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.118 1.019 -19.257 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.529 -0.472 -18.377 1.00 0.00 H new ATOM 1711 N THR A 121 13.013 -1.666 -23.410 1.00 0.00 N ATOM 1712 CA THR A 121 12.839 -2.372 -24.679 1.00 0.00 C ATOM 1713 C THR A 121 12.274 -1.477 -25.786 1.00 0.00 C ATOM 1714 O THR A 121 12.750 -1.520 -26.923 1.00 0.00 O ATOM 1715 CB THR A 121 11.955 -3.627 -24.520 1.00 0.00 C ATOM 1716 OG1 THR A 121 10.814 -3.351 -23.694 1.00 0.00 O ATOM 1717 CG2 THR A 121 12.751 -4.771 -23.918 1.00 0.00 C ATOM 0 H THR A 121 12.495 -2.067 -22.628 1.00 0.00 H new ATOM 0 HA THR A 121 13.840 -2.681 -24.981 1.00 0.00 H new ATOM 0 HB THR A 121 11.610 -3.915 -25.513 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.671 -2.383 -23.647 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.109 -5.646 -23.814 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.591 -5.012 -24.569 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.125 -4.477 -22.937 1.00 0.00 H new ATOM 1725 N GLN A 122 11.287 -0.645 -25.456 1.00 0.00 N ATOM 1726 CA GLN A 122 10.654 0.203 -26.466 1.00 0.00 C ATOM 1727 C GLN A 122 11.518 1.414 -26.801 1.00 0.00 C ATOM 1728 O GLN A 122 11.236 2.145 -27.751 1.00 0.00 O ATOM 1729 CB GLN A 122 9.257 0.646 -26.029 1.00 0.00 C ATOM 1730 CG GLN A 122 9.213 1.245 -24.643 1.00 0.00 C ATOM 1731 CD GLN A 122 7.818 1.683 -24.239 1.00 0.00 C ATOM 1732 OE1 GLN A 122 7.513 1.569 -22.958 1.00 0.00 O flip ATOM 1733 NE2 GLN A 122 7.017 2.107 -25.072 1.00 0.00 N flip ATOM 0 H GLN A 122 10.913 -0.540 -24.513 1.00 0.00 H new ATOM 0 HA GLN A 122 10.552 -0.399 -27.369 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.878 1.377 -26.743 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.586 -0.212 -26.065 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.583 0.514 -23.924 1.00 0.00 H new ATOM 0 HG3 GLN A 122 9.885 2.102 -24.600 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.291 2.180 -26.052 1.00 0.00 H new ATOM 0 HE22 GLN A 122 6.079 2.385 -24.782 1.00 0.00 H new ATOM 1742 N LEU A 123 12.570 1.624 -26.024 1.00 0.00 N ATOM 1743 CA LEU A 123 13.503 2.709 -26.286 1.00 0.00 C ATOM 1744 C LEU A 123 14.686 2.208 -27.100 1.00 0.00 C ATOM 1745 O LEU A 123 15.122 2.876 -28.034 1.00 0.00 O ATOM 1746 CB LEU A 123 13.990 3.334 -24.975 1.00 0.00 C ATOM 1747 CG LEU A 123 12.899 3.948 -24.095 1.00 0.00 C ATOM 1748 CD1 LEU A 123 13.511 4.578 -22.854 1.00 0.00 C ATOM 1749 CD2 LEU A 123 12.092 4.974 -24.872 1.00 0.00 C ATOM 0 H LEU A 123 12.799 1.057 -25.207 1.00 0.00 H new ATOM 0 HA LEU A 123 12.982 3.475 -26.861 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.510 2.569 -24.399 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.721 4.107 -25.211 1.00 0.00 H new ATOM 0 HG LEU A 123 12.223 3.152 -23.782 1.00 0.00 H new ATOM 0 HD11 LEU A 123 12.722 5.010 -22.239 1.00 0.00 H new ATOM 0 HD12 LEU A 123 14.041 3.816 -22.282 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.210 5.360 -23.150 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.323 5.397 -24.226 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.752 5.769 -25.219 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.622 4.493 -25.730 1.00 0.00 H new ATOM 1761 N VAL A 124 15.187 1.024 -26.751 1.00 0.00 N ATOM 1762 CA VAL A 124 16.330 0.437 -27.447 1.00 0.00 C ATOM 1763 C VAL A 124 16.079 0.365 -28.946 1.00 0.00 C ATOM 1764 O VAL A 124 16.812 0.958 -29.731 1.00 0.00 O ATOM 1765 CB VAL A 124 16.657 -0.984 -26.931 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.795 -1.603 -27.734 1.00 0.00 C ATOM 1767 CG2 VAL A 124 17.015 -0.950 -25.456 1.00 0.00 C ATOM 0 H VAL A 124 14.819 0.453 -25.990 1.00 0.00 H new ATOM 0 HA VAL A 124 17.180 1.089 -27.245 1.00 0.00 H new ATOM 0 HB VAL A 124 15.768 -1.601 -27.059 1.00 0.00 H new ATOM 0 HG11 VAL A 124 18.008 -2.602 -27.353 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.507 -1.668 -28.783 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.686 -0.982 -27.641 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.241 -1.960 -25.113 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.887 -0.312 -25.308 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.174 -0.554 -24.887 1.00 0.00 H new ATOM 1777 N SER A 125 15.029 -0.343 -29.332 1.00 0.00 N ATOM 1778 CA SER A 125 14.725 -0.549 -30.739 1.00 0.00 C ATOM 1779 C SER A 125 14.527 0.785 -31.462 1.00 0.00 C ATOM 1780 O SER A 125 15.063 0.994 -32.552 1.00 0.00 O ATOM 1781 CB SER A 125 13.478 -1.423 -30.872 1.00 0.00 C ATOM 1782 OG SER A 125 13.216 -1.751 -32.228 1.00 0.00 O ATOM 0 H SER A 125 14.372 -0.785 -28.689 1.00 0.00 H new ATOM 0 HA SER A 125 15.569 -1.055 -31.207 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.610 -2.338 -30.294 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.619 -0.901 -30.450 1.00 0.00 H new ATOM 0 HG SER A 125 12.414 -2.311 -32.280 1.00 0.00 H new ATOM 1788 N MET A 126 13.774 1.685 -30.839 1.00 0.00 N ATOM 1789 CA MET A 126 13.471 2.982 -31.432 1.00 0.00 C ATOM 1790 C MET A 126 14.736 3.812 -31.628 1.00 0.00 C ATOM 1791 O MET A 126 15.036 4.243 -32.740 1.00 0.00 O ATOM 1792 CB MET A 126 12.480 3.749 -30.556 1.00 0.00 C ATOM 1793 CG MET A 126 12.115 5.115 -31.111 1.00 0.00 C ATOM 1794 SD MET A 126 10.967 6.017 -30.055 1.00 0.00 S ATOM 1795 CE MET A 126 11.942 6.179 -28.563 1.00 0.00 C ATOM 0 H MET A 126 13.360 1.538 -29.918 1.00 0.00 H new ATOM 0 HA MET A 126 13.024 2.803 -32.410 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.572 3.157 -30.443 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.906 3.872 -29.560 1.00 0.00 H new ATOM 0 HG2 MET A 126 13.023 5.704 -31.238 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.672 4.993 -32.100 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.555 7.003 -27.963 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.885 5.254 -27.989 1.00 0.00 H new ATOM 0 HE3 MET A 126 12.981 6.379 -28.827 1.00 0.00 H new ATOM 1805 N PHE A 127 15.482 4.020 -30.550 1.00 0.00 N ATOM 1806 CA PHE A 127 16.674 4.860 -30.592 1.00 0.00 C ATOM 1807 C PHE A 127 17.764 4.246 -31.467 1.00 0.00 C ATOM 1808 O PHE A 127 18.572 4.962 -32.058 1.00 0.00 O ATOM 1809 CB PHE A 127 17.210 5.101 -29.175 1.00 0.00 C ATOM 1810 CG PHE A 127 16.399 6.079 -28.372 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.142 7.355 -28.852 1.00 0.00 C ATOM 1812 CD2 PHE A 127 15.909 5.727 -27.128 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.407 8.255 -28.104 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.178 6.624 -26.376 1.00 0.00 C ATOM 1815 CZ PHE A 127 14.926 7.890 -26.864 1.00 0.00 C ATOM 0 H PHE A 127 15.283 3.618 -29.634 1.00 0.00 H new ATOM 0 HA PHE A 127 16.388 5.815 -31.033 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.243 4.150 -28.644 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.235 5.464 -29.243 1.00 0.00 H new ATOM 0 HD1 PHE A 127 16.520 7.648 -29.820 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.101 4.738 -26.740 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.209 9.244 -28.490 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.803 6.335 -25.405 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.354 8.593 -26.277 1.00 0.00 H new ATOM 1825 N ALA A 128 17.780 2.923 -31.554 1.00 0.00 N ATOM 1826 CA ALA A 128 18.788 2.221 -32.336 1.00 0.00 C ATOM 1827 C ALA A 128 18.566 2.401 -33.828 1.00 0.00 C ATOM 1828 O ALA A 128 19.440 2.899 -34.539 1.00 0.00 O ATOM 1829 CB ALA A 128 18.793 0.748 -31.988 1.00 0.00 C ATOM 0 H ALA A 128 17.105 2.314 -31.092 1.00 0.00 H new ATOM 0 HA ALA A 128 19.757 2.653 -32.086 1.00 0.00 H new ATOM 0 HB1 ALA A 128 19.552 0.237 -32.581 1.00 0.00 H new ATOM 0 HB2 ALA A 128 19.017 0.625 -30.928 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.814 0.320 -32.204 1.00 0.00 H new ATOM 1835 N GLN A 129 17.391 1.999 -34.302 1.00 0.00 N ATOM 1836 CA GLN A 129 17.068 2.085 -35.720 1.00 0.00 C ATOM 1837 C GLN A 129 17.004 3.536 -36.181 1.00 0.00 C ATOM 1838 O GLN A 129 17.120 3.822 -37.373 1.00 0.00 O ATOM 1839 CB GLN A 129 15.747 1.377 -35.996 1.00 0.00 C ATOM 1840 CG GLN A 129 15.758 -0.073 -35.549 1.00 0.00 C ATOM 1841 CD GLN A 129 14.433 -0.768 -35.763 1.00 0.00 C ATOM 1842 OE1 GLN A 129 13.372 -0.144 -35.734 1.00 0.00 O ATOM 1843 NE2 GLN A 129 14.487 -2.072 -35.963 1.00 0.00 N ATOM 0 H GLN A 129 16.647 1.610 -33.723 1.00 0.00 H new ATOM 0 HA GLN A 129 17.859 1.591 -36.284 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.942 1.905 -35.485 1.00 0.00 H new ATOM 0 HB3 GLN A 129 15.530 1.423 -37.063 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.535 -0.609 -36.094 1.00 0.00 H new ATOM 0 HG3 GLN A 129 16.020 -0.119 -34.492 1.00 0.00 H new ATOM 0 HE21 GLN A 129 15.389 -2.549 -35.979 1.00 0.00 H new ATOM 0 HE22 GLN A 129 13.627 -2.603 -36.101 1.00 0.00 H new