USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 874 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 77 SER OG : rot 180:sc= -1.94! USER MOD Set 1.2: A 101 MET CE :methyl -107:sc= -1.11 (180deg=-2.03) USER MOD Set 2.1: A 51 ASN : amide:sc= 0.0137 K(o=-6.1,f=-7.2) USER MOD Set 2.2: A 60 ASN : amide:sc= -6.15 K(o=-6.1,f=-16!) USER MOD Set 3.1: A 3 GLN :FLIP amide:sc= 0.887 F(o=-0.13,f=1.6) USER MOD Set 3.2: A 13 THR OG1 : rot -140:sc= 0.729 USER MOD Single : A 1 TRP N :NH3+ 150:sc= 0.334 (180deg=0.0528) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.578 K(o=0.58,f=-7.9!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -122:sc= -3.99! (180deg=-7.48!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.82 K(o=-1.8,f=-6.2!) USER MOD Single : A 27 THR OG1 : rot -38:sc= 0.592 USER MOD Single : A 32 THR OG1 : rot -153:sc= -5.39! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -4.03! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 20:sc= -0.178 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.572) USER MOD Single : A 63 GLN : amide:sc= -5.22! C(o=-5.2!,f=-6.5!) USER MOD Single : A 64 SER OG : rot -150:sc= -6.09! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= 0.745 (180deg=-0.0283) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 73 LYS NZ :NH3+ -110:sc= -1.27! (180deg=-2.8!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.336 F(o=-1.1,f=-0.34) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -5.09! C(o=-5.1!,f=-10!) USER MOD Single : A 91 ASN : amide:sc= -5.88! C(o=-5.9!,f=-7.7!) USER MOD Single : A 99 SER OG : rot 90:sc= 1.14 USER MOD Single : A 100 GLN : amide:sc= -0.982 K(o=-0.98,f=-2.5!) USER MOD Single : A 102 LYS NZ :NH3+ -179:sc= 0.673 (180deg=0.672) USER MOD Single : A 104 MET CE :methyl 173:sc= 0 (180deg=-0.0157) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 7.861 -19.271 5.447 1.00 0.00 N ATOM 2 CA TRP A 1 7.995 -18.260 4.365 1.00 0.00 C ATOM 3 C TRP A 1 6.663 -17.567 4.090 1.00 0.00 C ATOM 4 O TRP A 1 6.543 -16.351 4.239 1.00 0.00 O ATOM 5 CB TRP A 1 8.489 -18.964 3.099 1.00 0.00 C ATOM 6 CG TRP A 1 9.836 -19.602 3.259 1.00 0.00 C ATOM 7 CD1 TRP A 1 10.093 -20.914 3.531 1.00 0.00 C ATOM 8 CD2 TRP A 1 11.110 -18.955 3.158 1.00 0.00 C ATOM 9 NE1 TRP A 1 11.449 -21.125 3.604 1.00 0.00 N ATOM 10 CE2 TRP A 1 12.094 -19.937 3.378 1.00 0.00 C ATOM 11 CE3 TRP A 1 11.514 -17.643 2.902 1.00 0.00 C ATOM 12 CZ2 TRP A 1 13.455 -19.647 3.350 1.00 0.00 C ATOM 13 CZ3 TRP A 1 12.866 -17.354 2.873 1.00 0.00 C ATOM 14 CH2 TRP A 1 13.822 -18.353 3.096 1.00 0.00 C ATOM 0 H1 TRP A 1 8.545 -20.039 5.291 1.00 0.00 H new ATOM 0 H2 TRP A 1 8.048 -18.822 6.366 1.00 0.00 H new ATOM 0 H3 TRP A 1 6.896 -19.660 5.441 1.00 0.00 H new ATOM 0 HA TRP A 1 8.708 -17.496 4.676 1.00 0.00 H new ATOM 0 HB2 TRP A 1 7.766 -19.727 2.811 1.00 0.00 H new ATOM 0 HB3 TRP A 1 8.532 -18.242 2.284 1.00 0.00 H new ATOM 0 HD1 TRP A 1 9.340 -21.676 3.669 1.00 0.00 H new ATOM 0 HE1 TRP A 1 11.901 -22.019 3.795 1.00 0.00 H new ATOM 0 HE3 TRP A 1 10.783 -16.867 2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 14.195 -20.415 3.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 13.190 -16.343 2.675 1.00 0.00 H new ATOM 0 HH2 TRP A 1 14.871 -18.097 3.067 1.00 0.00 H new ATOM 27 N VAL A 2 5.669 -18.348 3.683 1.00 0.00 N ATOM 28 CA VAL A 2 4.346 -17.813 3.382 1.00 0.00 C ATOM 29 C VAL A 2 3.301 -18.345 4.356 1.00 0.00 C ATOM 30 O VAL A 2 3.486 -19.399 4.965 1.00 0.00 O ATOM 31 CB VAL A 2 3.920 -18.165 1.945 1.00 0.00 C ATOM 32 CG1 VAL A 2 3.891 -19.675 1.746 1.00 0.00 C ATOM 33 CG2 VAL A 2 2.567 -17.550 1.615 1.00 0.00 C ATOM 0 H VAL A 2 5.754 -19.356 3.554 1.00 0.00 H new ATOM 0 HA VAL A 2 4.409 -16.730 3.483 1.00 0.00 H new ATOM 0 HB VAL A 2 4.657 -17.746 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.587 -19.902 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.884 -20.085 1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.181 -20.120 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.287 -17.812 0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.816 -17.931 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.628 -16.466 1.707 1.00 0.00 H new ATOM 43 N GLN A 3 2.202 -17.612 4.497 1.00 0.00 N ATOM 44 CA GLN A 3 1.130 -18.017 5.395 1.00 0.00 C ATOM 45 C GLN A 3 -0.164 -18.266 4.621 1.00 0.00 C ATOM 46 O GLN A 3 -0.491 -17.527 3.693 1.00 0.00 O ATOM 47 CB GLN A 3 0.900 -16.949 6.463 1.00 0.00 C ATOM 48 CG GLN A 3 1.909 -16.999 7.599 1.00 0.00 C ATOM 49 CD GLN A 3 1.360 -16.434 8.894 1.00 0.00 C ATOM 50 OE1 GLN A 3 1.219 -17.291 9.900 1.00 0.00 O flip ATOM 51 NE2 GLN A 3 1.065 -15.244 8.990 1.00 0.00 N flip ATOM 0 H GLN A 3 2.031 -16.737 4.002 1.00 0.00 H new ATOM 0 HA GLN A 3 1.428 -18.947 5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.940 -15.965 5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.103 -17.067 6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.218 -18.032 7.760 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.800 -16.441 7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.190 -14.622 8.192 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.696 -14.879 9.868 1.00 0.00 H new ATOM 60 N PRO A 4 -0.920 -19.315 4.992 1.00 0.00 N ATOM 61 CA PRO A 4 -2.179 -19.652 4.324 1.00 0.00 C ATOM 62 C PRO A 4 -3.305 -18.696 4.702 1.00 0.00 C ATOM 63 O PRO A 4 -3.598 -18.503 5.883 1.00 0.00 O ATOM 64 CB PRO A 4 -2.479 -21.061 4.836 1.00 0.00 C ATOM 65 CG PRO A 4 -1.837 -21.117 6.177 1.00 0.00 C ATOM 66 CD PRO A 4 -0.608 -20.252 6.091 1.00 0.00 C ATOM 0 HA PRO A 4 -2.101 -19.585 3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.552 -21.239 4.903 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.071 -21.820 4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.515 -20.754 6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.574 -22.142 6.440 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.422 -19.725 7.027 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.283 -20.841 5.875 1.00 0.00 H new ATOM 74 N ILE A 5 -3.934 -18.100 3.693 1.00 0.00 N ATOM 75 CA ILE A 5 -5.028 -17.165 3.922 1.00 0.00 C ATOM 76 C ILE A 5 -6.270 -17.891 4.432 1.00 0.00 C ATOM 77 O ILE A 5 -6.825 -18.749 3.746 1.00 0.00 O ATOM 78 CB ILE A 5 -5.383 -16.390 2.635 1.00 0.00 C ATOM 79 CG1 ILE A 5 -6.458 -15.336 2.924 1.00 0.00 C ATOM 80 CG2 ILE A 5 -5.847 -17.347 1.546 1.00 0.00 C ATOM 81 CD1 ILE A 5 -5.967 -13.914 2.756 1.00 0.00 C ATOM 0 H ILE A 5 -3.704 -18.248 2.710 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.691 -16.456 4.678 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.488 -15.879 2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.306 -15.501 2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.822 -15.469 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.093 -16.783 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.051 -18.057 1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.730 -17.887 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.779 -13.220 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.138 -13.732 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.630 -13.764 1.730 1.00 0.00 H new ATOM 93 N THR A 6 -6.699 -17.542 5.642 1.00 0.00 N ATOM 94 CA THR A 6 -7.873 -18.162 6.244 1.00 0.00 C ATOM 95 C THR A 6 -9.086 -17.243 6.151 1.00 0.00 C ATOM 96 O THR A 6 -9.161 -16.227 6.844 1.00 0.00 O ATOM 97 CB THR A 6 -7.596 -18.515 7.706 1.00 0.00 C ATOM 98 OG1 THR A 6 -6.288 -19.034 7.860 1.00 0.00 O ATOM 99 CG2 THR A 6 -8.563 -19.535 8.268 1.00 0.00 C ATOM 0 H THR A 6 -6.251 -16.834 6.223 1.00 0.00 H new ATOM 0 HA THR A 6 -8.092 -19.076 5.692 1.00 0.00 H new ATOM 0 HB THR A 6 -7.716 -17.581 8.255 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.131 -19.251 8.803 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.311 -19.741 9.308 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.579 -19.143 8.211 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.497 -20.456 7.689 1.00 0.00 H new ATOM 107 N ALA A 7 -10.033 -17.605 5.293 1.00 0.00 N ATOM 108 CA ALA A 7 -11.245 -16.815 5.110 1.00 0.00 C ATOM 109 C ALA A 7 -10.916 -15.414 4.606 1.00 0.00 C ATOM 110 O ALA A 7 -9.823 -14.900 4.845 1.00 0.00 O ATOM 111 CB ALA A 7 -12.029 -16.741 6.413 1.00 0.00 C ATOM 0 H ALA A 7 -9.985 -18.442 4.712 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.860 -17.307 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.931 -16.148 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.305 -17.747 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.413 -16.275 7.182 1.00 0.00 H new ATOM 117 N GLN A 8 -11.867 -14.803 3.907 1.00 0.00 N ATOM 118 CA GLN A 8 -11.674 -13.462 3.371 1.00 0.00 C ATOM 119 C GLN A 8 -11.572 -12.439 4.498 1.00 0.00 C ATOM 120 O GLN A 8 -12.577 -11.882 4.938 1.00 0.00 O ATOM 121 CB GLN A 8 -12.825 -13.092 2.431 1.00 0.00 C ATOM 122 CG GLN A 8 -12.796 -13.839 1.108 1.00 0.00 C ATOM 123 CD GLN A 8 -13.593 -15.128 1.148 1.00 0.00 C ATOM 124 OE1 GLN A 8 -13.625 -15.820 2.166 1.00 0.00 O ATOM 125 NE2 GLN A 8 -14.244 -15.456 0.037 1.00 0.00 N ATOM 0 H GLN A 8 -12.777 -15.215 3.699 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.741 -13.453 2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.771 -13.295 2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.792 -12.020 2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.193 -13.195 0.323 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.762 -14.063 0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.189 -14.852 -0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.799 -16.311 0.005 1.00 0.00 H new ATOM 134 N LYS A 9 -10.350 -12.198 4.961 1.00 0.00 N ATOM 135 CA LYS A 9 -10.116 -11.245 6.037 1.00 0.00 C ATOM 136 C LYS A 9 -8.811 -10.485 5.818 1.00 0.00 C ATOM 137 O LYS A 9 -7.954 -10.915 5.044 1.00 0.00 O ATOM 138 CB LYS A 9 -10.084 -11.964 7.387 1.00 0.00 C ATOM 139 CG LYS A 9 -11.455 -12.121 8.026 1.00 0.00 C ATOM 140 CD LYS A 9 -11.362 -12.168 9.542 1.00 0.00 C ATOM 141 CE LYS A 9 -10.722 -13.463 10.021 1.00 0.00 C ATOM 142 NZ LYS A 9 -11.326 -13.945 11.293 1.00 0.00 N ATOM 0 H LYS A 9 -9.507 -12.650 4.607 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.936 -10.527 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.640 -12.950 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.436 -11.412 8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.095 -11.291 7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.925 -13.034 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.779 -11.319 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.359 -12.073 9.972 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.834 -14.229 9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.652 -13.308 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.862 -14.829 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.197 -13.226 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.342 -14.118 11.151 1.00 0.00 H new ATOM 156 N PRO A 10 -8.641 -9.340 6.500 1.00 0.00 N ATOM 157 CA PRO A 10 -7.432 -8.516 6.376 1.00 0.00 C ATOM 158 C PRO A 10 -6.217 -9.158 7.041 1.00 0.00 C ATOM 159 O PRO A 10 -5.615 -8.577 7.946 1.00 0.00 O ATOM 160 CB PRO A 10 -7.816 -7.222 7.095 1.00 0.00 C ATOM 161 CG PRO A 10 -8.849 -7.630 8.084 1.00 0.00 C ATOM 162 CD PRO A 10 -9.614 -8.754 7.442 1.00 0.00 C ATOM 0 HA PRO A 10 -7.139 -8.374 5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.954 -6.772 7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.207 -6.482 6.397 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.389 -7.954 9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.509 -6.797 8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.949 -9.484 8.179 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.503 -8.391 6.926 1.00 0.00 H new ATOM 170 N SER A 11 -5.857 -10.357 6.591 1.00 0.00 N ATOM 171 CA SER A 11 -4.710 -11.064 7.153 1.00 0.00 C ATOM 172 C SER A 11 -4.101 -12.039 6.145 1.00 0.00 C ATOM 173 O SER A 11 -4.772 -12.945 5.654 1.00 0.00 O ATOM 174 CB SER A 11 -5.120 -11.816 8.418 1.00 0.00 C ATOM 175 OG SER A 11 -4.491 -11.267 9.563 1.00 0.00 O ATOM 0 H SER A 11 -6.339 -10.857 5.844 1.00 0.00 H new ATOM 0 HA SER A 11 -3.954 -10.320 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.203 -11.771 8.537 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.853 -12.868 8.322 1.00 0.00 H new ATOM 0 HG SER A 11 -4.771 -11.764 10.360 1.00 0.00 H new ATOM 181 N LEU A 12 -2.820 -11.842 5.854 1.00 0.00 N ATOM 182 CA LEU A 12 -2.097 -12.696 4.915 1.00 0.00 C ATOM 183 C LEU A 12 -0.617 -12.334 4.919 1.00 0.00 C ATOM 184 O LEU A 12 -0.255 -11.203 5.244 1.00 0.00 O ATOM 185 CB LEU A 12 -2.673 -12.575 3.496 1.00 0.00 C ATOM 186 CG LEU A 12 -2.352 -11.268 2.762 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.793 -10.074 3.585 1.00 0.00 C ATOM 188 CD2 LEU A 12 -0.874 -11.179 2.443 1.00 0.00 C ATOM 0 H LEU A 12 -2.257 -11.093 6.257 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.214 -13.731 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.300 -13.407 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.756 -12.683 3.552 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.903 -11.261 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.557 -9.155 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.868 -10.128 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.271 -10.079 4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.670 -10.243 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.299 -11.212 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.588 -12.017 1.808 1.00 0.00 H new ATOM 200 N THR A 13 0.238 -13.283 4.559 1.00 0.00 N ATOM 201 CA THR A 13 1.672 -13.020 4.530 1.00 0.00 C ATOM 202 C THR A 13 2.270 -13.262 3.146 1.00 0.00 C ATOM 203 O THR A 13 2.348 -14.398 2.679 1.00 0.00 O ATOM 204 CB THR A 13 2.391 -13.892 5.558 1.00 0.00 C ATOM 205 OG1 THR A 13 1.774 -13.790 6.830 1.00 0.00 O ATOM 206 CG2 THR A 13 3.851 -13.534 5.725 1.00 0.00 C ATOM 0 H THR A 13 -0.030 -14.229 4.287 1.00 0.00 H new ATOM 0 HA THR A 13 1.812 -11.968 4.777 1.00 0.00 H new ATOM 0 HB THR A 13 2.322 -14.909 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.463 -13.765 7.527 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.304 -14.190 6.469 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.367 -13.655 4.772 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.936 -12.499 6.055 1.00 0.00 H new ATOM 214 N LEU A 14 2.736 -12.180 2.528 1.00 0.00 N ATOM 215 CA LEU A 14 3.385 -12.235 1.220 1.00 0.00 C ATOM 216 C LEU A 14 4.594 -11.321 1.243 1.00 0.00 C ATOM 217 O LEU A 14 4.799 -10.591 2.208 1.00 0.00 O ATOM 218 CB LEU A 14 2.458 -11.792 0.082 1.00 0.00 C ATOM 219 CG LEU A 14 1.062 -12.421 0.036 1.00 0.00 C ATOM 220 CD1 LEU A 14 0.425 -12.205 -1.330 1.00 0.00 C ATOM 221 CD2 LEU A 14 1.096 -13.899 0.380 1.00 0.00 C ATOM 0 H LEU A 14 2.675 -11.240 2.919 1.00 0.00 H new ATOM 0 HA LEU A 14 3.665 -13.272 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.340 -10.710 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.957 -12.005 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 14 0.454 -11.924 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.566 -12.658 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.338 -11.136 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.046 -12.666 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.086 -14.306 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.731 -14.424 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.496 -14.029 1.386 1.00 0.00 H new ATOM 233 N TRP A 15 5.395 -11.347 0.187 1.00 0.00 N ATOM 234 CA TRP A 15 6.573 -10.499 0.141 1.00 0.00 C ATOM 235 C TRP A 15 6.299 -9.197 -0.593 1.00 0.00 C ATOM 236 O TRP A 15 5.513 -9.142 -1.530 1.00 0.00 O ATOM 237 CB TRP A 15 7.771 -11.267 -0.436 1.00 0.00 C ATOM 238 CG TRP A 15 8.085 -11.063 -1.898 1.00 0.00 C ATOM 239 CD1 TRP A 15 7.263 -10.624 -2.907 1.00 0.00 C ATOM 240 CD2 TRP A 15 9.350 -11.337 -2.513 1.00 0.00 C ATOM 241 NE1 TRP A 15 7.957 -10.601 -4.095 1.00 0.00 N ATOM 242 CE2 TRP A 15 9.232 -11.034 -3.879 1.00 0.00 C ATOM 243 CE3 TRP A 15 10.573 -11.806 -2.033 1.00 0.00 C ATOM 244 CZ2 TRP A 15 10.287 -11.185 -4.770 1.00 0.00 C ATOM 245 CZ3 TRP A 15 11.621 -11.956 -2.919 1.00 0.00 C ATOM 246 CH2 TRP A 15 11.472 -11.645 -4.274 1.00 0.00 C ATOM 0 H TRP A 15 5.253 -11.935 -0.634 1.00 0.00 H new ATOM 0 HA TRP A 15 6.834 -10.219 1.162 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.655 -10.995 0.140 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.600 -12.331 -0.273 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.228 -10.340 -2.786 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.578 -10.307 -4.995 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.698 -12.047 -0.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.173 -10.947 -5.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 12.572 -12.320 -2.559 1.00 0.00 H new ATOM 0 HH2 TRP A 15 12.312 -11.771 -4.941 1.00 0.00 H new ATOM 257 N LEU A 16 6.946 -8.145 -0.131 1.00 0.00 N ATOM 258 CA LEU A 16 6.780 -6.827 -0.721 1.00 0.00 C ATOM 259 C LEU A 16 8.131 -6.149 -0.908 1.00 0.00 C ATOM 260 O LEU A 16 9.019 -6.276 -0.065 1.00 0.00 O ATOM 261 CB LEU A 16 5.865 -5.965 0.152 1.00 0.00 C ATOM 262 CG LEU A 16 6.380 -5.705 1.568 1.00 0.00 C ATOM 263 CD1 LEU A 16 7.011 -4.324 1.663 1.00 0.00 C ATOM 264 CD2 LEU A 16 5.253 -5.848 2.579 1.00 0.00 C ATOM 0 H LEU A 16 7.595 -8.176 0.655 1.00 0.00 H new ATOM 0 HA LEU A 16 6.317 -6.944 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.712 -5.007 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.891 -6.449 0.219 1.00 0.00 H new ATOM 0 HG LEU A 16 7.145 -6.447 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.371 -4.158 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.846 -4.257 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.268 -3.567 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.637 -5.660 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.466 -5.129 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.846 -6.858 2.530 1.00 0.00 H new ATOM 276 N ASP A 17 8.282 -5.441 -2.024 1.00 0.00 N ATOM 277 CA ASP A 17 9.529 -4.746 -2.338 1.00 0.00 C ATOM 278 C ASP A 17 10.651 -5.747 -2.598 1.00 0.00 C ATOM 279 O ASP A 17 11.146 -5.861 -3.719 1.00 0.00 O ATOM 280 CB ASP A 17 9.922 -3.794 -1.206 1.00 0.00 C ATOM 281 CG ASP A 17 9.084 -2.530 -1.196 1.00 0.00 C ATOM 282 OD1 ASP A 17 9.106 -1.796 -2.207 1.00 0.00 O ATOM 283 OD2 ASP A 17 8.405 -2.275 -0.180 1.00 0.00 O ATOM 0 H ASP A 17 7.553 -5.333 -2.729 1.00 0.00 H new ATOM 0 HA ASP A 17 9.369 -4.159 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.813 -4.306 -0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.974 -3.528 -1.307 1.00 0.00 H new ATOM 288 N ASP A 18 11.045 -6.473 -1.556 1.00 0.00 N ATOM 289 CA ASP A 18 12.106 -7.467 -1.677 1.00 0.00 C ATOM 290 C ASP A 18 12.257 -8.269 -0.385 1.00 0.00 C ATOM 291 O ASP A 18 13.364 -8.651 -0.008 1.00 0.00 O ATOM 292 CB ASP A 18 13.431 -6.786 -2.033 1.00 0.00 C ATOM 293 CG ASP A 18 13.762 -6.906 -3.508 1.00 0.00 C ATOM 294 OD1 ASP A 18 14.193 -7.998 -3.933 1.00 0.00 O ATOM 295 OD2 ASP A 18 13.590 -5.908 -4.237 1.00 0.00 O ATOM 0 H ASP A 18 10.647 -6.392 -0.621 1.00 0.00 H new ATOM 0 HA ASP A 18 11.834 -8.157 -2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.380 -5.732 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.234 -7.230 -1.445 1.00 0.00 H new ATOM 300 N LYS A 19 11.138 -8.521 0.292 1.00 0.00 N ATOM 301 CA LYS A 19 11.155 -9.276 1.535 1.00 0.00 C ATOM 302 C LYS A 19 9.747 -9.642 1.989 1.00 0.00 C ATOM 303 O LYS A 19 8.801 -8.889 1.777 1.00 0.00 O ATOM 304 CB LYS A 19 11.859 -8.481 2.626 1.00 0.00 C ATOM 305 CG LYS A 19 12.828 -9.323 3.422 1.00 0.00 C ATOM 306 CD LYS A 19 13.500 -8.520 4.523 1.00 0.00 C ATOM 307 CE LYS A 19 14.413 -9.391 5.374 1.00 0.00 C ATOM 308 NZ LYS A 19 14.113 -9.259 6.826 1.00 0.00 N ATOM 0 H LYS A 19 10.211 -8.212 -0.002 1.00 0.00 H new ATOM 0 HA LYS A 19 11.701 -10.201 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.394 -7.646 2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.114 -8.056 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.299 -10.169 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.587 -9.732 2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.078 -7.709 4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.740 -8.062 5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.303 -10.433 5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.451 -9.115 5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.757 -9.868 7.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.243 -8.269 7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.130 -9.547 7.005 1.00 0.00 H new ATOM 322 N MET A 20 9.623 -10.807 2.619 1.00 0.00 N ATOM 323 CA MET A 20 8.333 -11.277 3.108 1.00 0.00 C ATOM 324 C MET A 20 7.816 -10.401 4.247 1.00 0.00 C ATOM 325 O MET A 20 8.592 -9.826 5.008 1.00 0.00 O ATOM 326 CB MET A 20 8.439 -12.731 3.569 1.00 0.00 C ATOM 327 CG MET A 20 7.646 -13.702 2.708 1.00 0.00 C ATOM 328 SD MET A 20 8.688 -14.667 1.595 1.00 0.00 S ATOM 329 CE MET A 20 7.736 -14.588 0.078 1.00 0.00 C ATOM 0 H MET A 20 10.400 -11.442 2.802 1.00 0.00 H new ATOM 0 HA MET A 20 7.621 -11.214 2.285 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.488 -13.029 3.566 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.090 -12.803 4.599 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.088 -14.380 3.354 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.915 -13.146 2.122 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.494 -15.598 -0.252 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.815 -14.033 0.255 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.320 -14.085 -0.692 1.00 0.00 H new ATOM 339 N PHE A 21 6.493 -10.309 4.350 1.00 0.00 N ATOM 340 CA PHE A 21 5.847 -9.511 5.386 1.00 0.00 C ATOM 341 C PHE A 21 4.351 -9.809 5.430 1.00 0.00 C ATOM 342 O PHE A 21 3.834 -10.549 4.593 1.00 0.00 O ATOM 343 CB PHE A 21 6.078 -8.019 5.127 1.00 0.00 C ATOM 344 CG PHE A 21 5.943 -7.167 6.356 1.00 0.00 C ATOM 345 CD1 PHE A 21 6.838 -7.294 7.406 1.00 0.00 C ATOM 346 CD2 PHE A 21 4.919 -6.240 6.461 1.00 0.00 C ATOM 347 CE1 PHE A 21 6.715 -6.512 8.538 1.00 0.00 C ATOM 348 CE2 PHE A 21 4.790 -5.454 7.592 1.00 0.00 C ATOM 349 CZ PHE A 21 5.690 -5.590 8.630 1.00 0.00 C ATOM 0 H PHE A 21 5.843 -10.782 3.722 1.00 0.00 H new ATOM 0 HA PHE A 21 6.285 -9.773 6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.075 -7.882 4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.366 -7.675 4.377 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.641 -8.013 7.339 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.213 -6.130 5.651 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.419 -6.621 9.350 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.987 -4.735 7.663 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.593 -4.976 9.513 1.00 0.00 H new ATOM 359 N THR A 22 3.657 -9.234 6.409 1.00 0.00 N ATOM 360 CA THR A 22 2.221 -9.451 6.551 1.00 0.00 C ATOM 361 C THR A 22 1.422 -8.307 5.932 1.00 0.00 C ATOM 362 O THR A 22 1.981 -7.282 5.543 1.00 0.00 O ATOM 363 CB THR A 22 1.848 -9.606 8.028 1.00 0.00 C ATOM 364 OG1 THR A 22 2.901 -10.221 8.749 1.00 0.00 O ATOM 365 CG2 THR A 22 0.599 -10.434 8.245 1.00 0.00 C ATOM 0 H THR A 22 4.064 -8.617 7.112 1.00 0.00 H new ATOM 0 HA THR A 22 1.971 -10.369 6.019 1.00 0.00 H new ATOM 0 HB THR A 22 1.662 -8.594 8.387 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.645 -10.310 9.691 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.390 -10.505 9.313 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.244 -9.960 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.750 -11.434 7.838 1.00 0.00 H new ATOM 373 N GLY A 23 0.109 -8.498 5.848 1.00 0.00 N ATOM 374 CA GLY A 23 -0.764 -7.486 5.280 1.00 0.00 C ATOM 375 C GLY A 23 -2.228 -7.850 5.440 1.00 0.00 C ATOM 376 O GLY A 23 -2.563 -8.770 6.187 1.00 0.00 O ATOM 0 H GLY A 23 -0.369 -9.341 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.573 -6.528 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.534 -7.360 4.222 1.00 0.00 H new ATOM 380 N LEU A 24 -3.105 -7.140 4.731 1.00 0.00 N ATOM 381 CA LEU A 24 -4.534 -7.413 4.805 1.00 0.00 C ATOM 382 C LEU A 24 -5.169 -7.408 3.417 1.00 0.00 C ATOM 383 O LEU A 24 -4.879 -6.540 2.594 1.00 0.00 O ATOM 384 CB LEU A 24 -5.231 -6.389 5.707 1.00 0.00 C ATOM 385 CG LEU A 24 -4.666 -4.965 5.670 1.00 0.00 C ATOM 386 CD1 LEU A 24 -3.281 -4.913 6.299 1.00 0.00 C ATOM 387 CD2 LEU A 24 -4.630 -4.435 4.244 1.00 0.00 C ATOM 0 H LEU A 24 -2.850 -6.377 4.104 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.661 -8.407 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.284 -6.348 5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.186 -6.750 6.735 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.327 -4.325 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.902 -3.892 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.341 -5.239 7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.607 -5.571 5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.225 -3.423 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.999 -5.079 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.640 -4.423 3.835 1.00 0.00 H new ATOM 399 N ILE A 25 -6.033 -8.386 3.162 1.00 0.00 N ATOM 400 CA ILE A 25 -6.704 -8.491 1.871 1.00 0.00 C ATOM 401 C ILE A 25 -8.168 -8.086 1.968 1.00 0.00 C ATOM 402 O ILE A 25 -8.904 -8.571 2.828 1.00 0.00 O ATOM 403 CB ILE A 25 -6.623 -9.920 1.301 1.00 0.00 C ATOM 404 CG1 ILE A 25 -5.180 -10.422 1.333 1.00 0.00 C ATOM 405 CG2 ILE A 25 -7.168 -9.959 -0.120 1.00 0.00 C ATOM 406 CD1 ILE A 25 -4.202 -9.487 0.651 1.00 0.00 C ATOM 0 H ILE A 25 -6.284 -9.115 3.830 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.183 -7.808 1.200 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.234 -10.576 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.875 -10.562 2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.132 -11.399 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.103 -10.976 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.209 -9.637 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.582 -9.292 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.197 -9.905 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.483 -9.367 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.221 -8.516 1.146 1.00 0.00 H new ATOM 418 N ASN A 26 -8.587 -7.206 1.067 1.00 0.00 N ATOM 419 CA ASN A 26 -9.968 -6.746 1.033 1.00 0.00 C ATOM 420 C ASN A 26 -10.724 -7.452 -0.084 1.00 0.00 C ATOM 421 O ASN A 26 -10.202 -7.629 -1.184 1.00 0.00 O ATOM 422 CB ASN A 26 -10.036 -5.232 0.824 1.00 0.00 C ATOM 423 CG ASN A 26 -8.856 -4.497 1.434 1.00 0.00 C ATOM 424 OD1 ASN A 26 -7.744 -4.540 0.911 1.00 0.00 O ATOM 425 ND2 ASN A 26 -9.096 -3.817 2.550 1.00 0.00 N ATOM 0 H ASN A 26 -7.989 -6.797 0.350 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.429 -6.984 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -10.077 -5.019 -0.244 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.959 -4.851 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.342 -3.304 3.007 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -10.034 -3.808 2.950 1.00 0.00 H new ATOM 432 N THR A 27 -11.951 -7.858 0.205 1.00 0.00 N ATOM 433 CA THR A 27 -12.772 -8.550 -0.778 1.00 0.00 C ATOM 434 C THR A 27 -13.574 -7.564 -1.628 1.00 0.00 C ATOM 435 O THR A 27 -14.420 -7.965 -2.427 1.00 0.00 O ATOM 436 CB THR A 27 -13.705 -9.530 -0.072 1.00 0.00 C ATOM 437 OG1 THR A 27 -14.378 -10.350 -1.011 1.00 0.00 O ATOM 438 CG2 THR A 27 -14.753 -8.851 0.784 1.00 0.00 C ATOM 0 H THR A 27 -12.400 -7.721 1.111 1.00 0.00 H new ATOM 0 HA THR A 27 -12.113 -9.101 -1.449 1.00 0.00 H new ATOM 0 HB THR A 27 -13.061 -10.123 0.577 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.616 -9.818 -1.799 1.00 0.00 H new ATOM 0 HG21 THR A 27 -15.382 -9.606 1.256 1.00 0.00 H new ATOM 0 HG22 THR A 27 -14.263 -8.253 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 27 -15.369 -8.204 0.160 1.00 0.00 H new ATOM 446 N GLY A 28 -13.300 -6.273 -1.454 1.00 0.00 N ATOM 447 CA GLY A 28 -13.999 -5.253 -2.214 1.00 0.00 C ATOM 448 C GLY A 28 -13.186 -3.983 -2.346 1.00 0.00 C ATOM 449 O GLY A 28 -13.593 -2.923 -1.870 1.00 0.00 O ATOM 0 H GLY A 28 -12.605 -5.916 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.233 -5.638 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.948 -5.026 -1.728 1.00 0.00 H new ATOM 453 N ALA A 29 -12.030 -4.090 -2.991 1.00 0.00 N ATOM 454 CA ALA A 29 -11.150 -2.945 -3.184 1.00 0.00 C ATOM 455 C ALA A 29 -11.465 -2.227 -4.492 1.00 0.00 C ATOM 456 O ALA A 29 -11.829 -2.854 -5.484 1.00 0.00 O ATOM 457 CB ALA A 29 -9.696 -3.394 -3.165 1.00 0.00 C ATOM 0 H ALA A 29 -11.680 -4.961 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.316 -2.244 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.047 -2.531 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.472 -3.860 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.527 -4.114 -3.966 1.00 0.00 H new ATOM 463 N ASP A 30 -11.306 -0.910 -4.486 1.00 0.00 N ATOM 464 CA ASP A 30 -11.554 -0.100 -5.671 1.00 0.00 C ATOM 465 C ASP A 30 -10.289 0.655 -6.055 1.00 0.00 C ATOM 466 O ASP A 30 -9.919 0.727 -7.226 1.00 0.00 O ATOM 467 CB ASP A 30 -12.699 0.885 -5.422 1.00 0.00 C ATOM 468 CG ASP A 30 -12.386 1.867 -4.310 1.00 0.00 C ATOM 469 OD1 ASP A 30 -11.859 1.433 -3.265 1.00 0.00 O ATOM 470 OD2 ASP A 30 -12.666 3.071 -4.486 1.00 0.00 O ATOM 0 H ASP A 30 -11.005 -0.378 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.840 -0.760 -6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.908 1.434 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.603 0.331 -5.170 1.00 0.00 H new ATOM 475 N VAL A 31 -9.622 1.203 -5.045 1.00 0.00 N ATOM 476 CA VAL A 31 -8.385 1.943 -5.246 1.00 0.00 C ATOM 477 C VAL A 31 -7.390 1.622 -4.138 1.00 0.00 C ATOM 478 O VAL A 31 -7.644 1.898 -2.970 1.00 0.00 O ATOM 479 CB VAL A 31 -8.616 3.472 -5.289 1.00 0.00 C ATOM 480 CG1 VAL A 31 -8.463 3.989 -6.708 1.00 0.00 C ATOM 481 CG2 VAL A 31 -9.983 3.839 -4.725 1.00 0.00 C ATOM 0 H VAL A 31 -9.922 1.147 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.986 1.633 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.861 3.947 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.628 5.066 -6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.457 3.771 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.193 3.501 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.116 4.920 -4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.762 3.353 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.050 3.507 -3.689 1.00 0.00 H new ATOM 491 N THR A 32 -6.267 1.029 -4.513 1.00 0.00 N ATOM 492 CA THR A 32 -5.232 0.660 -3.559 1.00 0.00 C ATOM 493 C THR A 32 -4.786 1.847 -2.710 1.00 0.00 C ATOM 494 O THR A 32 -4.131 2.763 -3.205 1.00 0.00 O ATOM 495 CB THR A 32 -4.033 0.082 -4.296 1.00 0.00 C ATOM 496 OG1 THR A 32 -4.450 -0.767 -5.349 1.00 0.00 O ATOM 497 CG2 THR A 32 -3.099 -0.707 -3.406 1.00 0.00 C ATOM 0 H THR A 32 -6.048 0.791 -5.480 1.00 0.00 H new ATOM 0 HA THR A 32 -5.656 -0.088 -2.889 1.00 0.00 H new ATOM 0 HB THR A 32 -3.491 0.946 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.756 -1.436 -5.525 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.268 -1.089 -3.999 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.715 -0.060 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.640 -1.542 -2.960 1.00 0.00 H new ATOM 505 N ILE A 33 -5.134 1.819 -1.426 1.00 0.00 N ATOM 506 CA ILE A 33 -4.749 2.887 -0.505 1.00 0.00 C ATOM 507 C ILE A 33 -3.947 2.330 0.666 1.00 0.00 C ATOM 508 O ILE A 33 -4.430 1.481 1.414 1.00 0.00 O ATOM 509 CB ILE A 33 -5.964 3.653 0.070 1.00 0.00 C ATOM 510 CG1 ILE A 33 -7.157 3.595 -0.883 1.00 0.00 C ATOM 511 CG2 ILE A 33 -5.591 5.098 0.364 1.00 0.00 C ATOM 512 CD1 ILE A 33 -6.951 4.376 -2.165 1.00 0.00 C ATOM 0 H ILE A 33 -5.681 1.071 -1.000 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.146 3.580 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.254 3.168 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.362 2.554 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.039 3.980 -0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.457 5.622 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.780 5.124 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.269 5.585 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.839 4.288 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.776 5.425 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.089 3.977 -2.700 1.00 0.00 H new ATOM 524 N ILE A 34 -2.732 2.831 0.835 1.00 0.00 N ATOM 525 CA ILE A 34 -1.873 2.409 1.930 1.00 0.00 C ATOM 526 C ILE A 34 -1.560 3.610 2.806 1.00 0.00 C ATOM 527 O ILE A 34 -1.127 4.643 2.314 1.00 0.00 O ATOM 528 CB ILE A 34 -0.566 1.753 1.420 1.00 0.00 C ATOM 529 CG1 ILE A 34 -0.190 0.558 2.300 1.00 0.00 C ATOM 530 CG2 ILE A 34 0.582 2.752 1.370 1.00 0.00 C ATOM 531 CD1 ILE A 34 -0.896 -0.727 1.920 1.00 0.00 C ATOM 0 H ILE A 34 -2.318 3.534 0.223 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.401 1.653 2.511 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.748 1.404 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.887 0.401 2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.422 0.796 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.482 2.255 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.323 3.570 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.764 3.148 2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.579 -1.528 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.974 -0.589 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.644 -0.990 0.893 1.00 0.00 H new ATOM 543 N LYS A 35 -1.803 3.481 4.094 1.00 0.00 N ATOM 544 CA LYS A 35 -1.569 4.577 5.018 1.00 0.00 C ATOM 545 C LYS A 35 -0.120 5.041 4.986 1.00 0.00 C ATOM 546 O LYS A 35 0.769 4.323 4.527 1.00 0.00 O ATOM 547 CB LYS A 35 -1.971 4.167 6.436 1.00 0.00 C ATOM 548 CG LYS A 35 -1.282 2.906 6.933 1.00 0.00 C ATOM 549 CD LYS A 35 -1.951 1.641 6.417 1.00 0.00 C ATOM 550 CE LYS A 35 -1.943 0.542 7.468 1.00 0.00 C ATOM 551 NZ LYS A 35 -0.845 -0.440 7.240 1.00 0.00 N ATOM 0 H LYS A 35 -2.162 2.630 4.527 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.187 5.417 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.744 4.986 7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.050 4.016 6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.238 2.917 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.286 2.898 8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.978 1.863 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.436 1.294 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.832 0.987 8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.902 0.023 7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.875 -1.172 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.964 -0.884 6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.072 0.050 7.276 1.00 0.00 H new ATOM 565 N LEU A 36 0.102 6.263 5.460 1.00 0.00 N ATOM 566 CA LEU A 36 1.434 6.852 5.471 1.00 0.00 C ATOM 567 C LEU A 36 2.384 6.092 6.386 1.00 0.00 C ATOM 568 O LEU A 36 3.594 6.083 6.171 1.00 0.00 O ATOM 569 CB LEU A 36 1.358 8.312 5.909 1.00 0.00 C ATOM 570 CG LEU A 36 1.883 9.323 4.888 1.00 0.00 C ATOM 571 CD1 LEU A 36 2.191 10.654 5.556 1.00 0.00 C ATOM 572 CD2 LEU A 36 3.118 8.788 4.182 1.00 0.00 C ATOM 0 H LEU A 36 -0.627 6.865 5.842 1.00 0.00 H new ATOM 0 HA LEU A 36 1.826 6.791 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.320 8.554 6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.922 8.427 6.835 1.00 0.00 H new ATOM 0 HG LEU A 36 1.103 9.483 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.563 11.357 4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.283 11.052 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.948 10.508 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.473 9.525 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.900 8.592 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.868 7.863 3.662 1.00 0.00 H new ATOM 584 N GLU A 37 1.832 5.462 7.411 1.00 0.00 N ATOM 585 CA GLU A 37 2.635 4.701 8.364 1.00 0.00 C ATOM 586 C GLU A 37 3.483 3.632 7.671 1.00 0.00 C ATOM 587 O GLU A 37 4.373 3.046 8.287 1.00 0.00 O ATOM 588 CB GLU A 37 1.731 4.049 9.411 1.00 0.00 C ATOM 589 CG GLU A 37 1.061 5.050 10.338 1.00 0.00 C ATOM 590 CD GLU A 37 -0.165 4.481 11.023 1.00 0.00 C ATOM 591 OE1 GLU A 37 -0.709 3.470 10.528 1.00 0.00 O ATOM 592 OE2 GLU A 37 -0.585 5.047 12.055 1.00 0.00 O ATOM 0 H GLU A 37 0.831 5.461 7.607 1.00 0.00 H new ATOM 0 HA GLU A 37 3.315 5.400 8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.963 3.464 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.321 3.352 10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.776 5.375 11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.776 5.934 9.767 1.00 0.00 H new ATOM 599 N ASP A 38 3.208 3.373 6.393 1.00 0.00 N ATOM 600 CA ASP A 38 3.955 2.368 5.639 1.00 0.00 C ATOM 601 C ASP A 38 4.669 2.991 4.440 1.00 0.00 C ATOM 602 O ASP A 38 4.959 2.309 3.458 1.00 0.00 O ATOM 603 CB ASP A 38 3.017 1.254 5.169 1.00 0.00 C ATOM 604 CG ASP A 38 3.355 -0.087 5.789 1.00 0.00 C ATOM 605 OD1 ASP A 38 3.430 -0.165 7.034 1.00 0.00 O ATOM 606 OD2 ASP A 38 3.545 -1.060 5.029 1.00 0.00 O ATOM 0 H ASP A 38 2.476 3.843 5.860 1.00 0.00 H new ATOM 0 HA ASP A 38 4.711 1.946 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.990 1.518 5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.070 1.173 4.083 1.00 0.00 H new ATOM 611 N TRP A 39 4.936 4.290 4.521 1.00 0.00 N ATOM 612 CA TRP A 39 5.599 5.004 3.436 1.00 0.00 C ATOM 613 C TRP A 39 7.022 5.419 3.826 1.00 0.00 C ATOM 614 O TRP A 39 7.326 5.601 5.006 1.00 0.00 O ATOM 615 CB TRP A 39 4.764 6.230 3.049 1.00 0.00 C ATOM 616 CG TRP A 39 5.542 7.508 2.967 1.00 0.00 C ATOM 617 CD1 TRP A 39 5.988 8.119 1.833 1.00 0.00 C ATOM 618 CD2 TRP A 39 5.967 8.332 4.062 1.00 0.00 C ATOM 619 NE1 TRP A 39 6.661 9.268 2.150 1.00 0.00 N ATOM 620 CE2 TRP A 39 6.657 9.426 3.512 1.00 0.00 C ATOM 621 CE3 TRP A 39 5.825 8.254 5.450 1.00 0.00 C ATOM 622 CZ2 TRP A 39 7.206 10.433 4.304 1.00 0.00 C ATOM 623 CZ3 TRP A 39 6.369 9.253 6.234 1.00 0.00 C ATOM 624 CH2 TRP A 39 7.050 10.332 5.659 1.00 0.00 C ATOM 0 H TRP A 39 4.703 4.870 5.327 1.00 0.00 H new ATOM 0 HA TRP A 39 5.681 4.336 2.578 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.292 6.043 2.084 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.962 6.353 3.777 1.00 0.00 H new ATOM 0 HD1 TRP A 39 5.833 7.750 0.830 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.095 9.904 1.481 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.299 7.426 5.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.736 11.264 3.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.267 9.200 7.308 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.460 11.100 6.298 1.00 0.00 H new ATOM 635 N PRO A 40 7.915 5.580 2.827 1.00 0.00 N ATOM 636 CA PRO A 40 9.309 5.981 3.061 1.00 0.00 C ATOM 637 C PRO A 40 9.424 7.313 3.799 1.00 0.00 C ATOM 638 O PRO A 40 9.092 8.360 3.247 1.00 0.00 O ATOM 639 CB PRO A 40 9.893 6.131 1.653 1.00 0.00 C ATOM 640 CG PRO A 40 8.994 5.347 0.764 1.00 0.00 C ATOM 641 CD PRO A 40 7.631 5.382 1.395 1.00 0.00 C ATOM 0 HA PRO A 40 9.825 5.251 3.685 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.927 7.178 1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.915 5.753 1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.969 5.776 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.348 4.321 0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.023 6.192 0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.084 4.455 1.219 1.00 0.00 H new ATOM 649 N PRO A 41 9.914 7.301 5.051 1.00 0.00 N ATOM 650 CA PRO A 41 10.080 8.530 5.835 1.00 0.00 C ATOM 651 C PRO A 41 11.145 9.454 5.250 1.00 0.00 C ATOM 652 O PRO A 41 11.290 10.599 5.680 1.00 0.00 O ATOM 653 CB PRO A 41 10.508 8.022 7.213 1.00 0.00 C ATOM 654 CG PRO A 41 11.111 6.684 6.957 1.00 0.00 C ATOM 655 CD PRO A 41 10.359 6.107 5.792 1.00 0.00 C ATOM 0 HA PRO A 41 9.167 9.126 5.853 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.227 8.697 7.677 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.656 7.949 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 41 12.174 6.772 6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.024 6.043 7.834 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.995 5.467 5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.516 5.499 6.119 1.00 0.00 H new ATOM 663 N ASN A 42 11.890 8.950 4.271 1.00 0.00 N ATOM 664 CA ASN A 42 12.943 9.724 3.628 1.00 0.00 C ATOM 665 C ASN A 42 12.386 10.979 2.960 1.00 0.00 C ATOM 666 O ASN A 42 13.004 12.042 3.012 1.00 0.00 O ATOM 667 CB ASN A 42 13.663 8.864 2.590 1.00 0.00 C ATOM 668 CG ASN A 42 15.084 9.330 2.337 1.00 0.00 C ATOM 669 OD1 ASN A 42 15.379 9.924 1.300 1.00 0.00 O ATOM 670 ND2 ASN A 42 15.974 9.062 3.286 1.00 0.00 N ATOM 0 H ASN A 42 11.782 8.004 3.905 1.00 0.00 H new ATOM 0 HA ASN A 42 13.647 10.035 4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.678 7.828 2.928 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.105 8.886 1.654 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.945 9.351 3.171 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.686 8.567 4.130 1.00 0.00 H new ATOM 677 N TRP A 43 11.226 10.849 2.320 1.00 0.00 N ATOM 678 CA TRP A 43 10.608 11.982 1.634 1.00 0.00 C ATOM 679 C TRP A 43 9.098 12.031 1.878 1.00 0.00 C ATOM 680 O TRP A 43 8.434 10.998 1.878 1.00 0.00 O ATOM 681 CB TRP A 43 10.884 11.892 0.128 1.00 0.00 C ATOM 682 CG TRP A 43 10.126 10.790 -0.549 1.00 0.00 C ATOM 683 CD1 TRP A 43 8.786 10.765 -0.817 1.00 0.00 C ATOM 684 CD2 TRP A 43 10.654 9.551 -1.039 1.00 0.00 C ATOM 685 NE1 TRP A 43 8.452 9.588 -1.440 1.00 0.00 N ATOM 686 CE2 TRP A 43 9.579 8.830 -1.589 1.00 0.00 C ATOM 687 CE3 TRP A 43 11.932 8.984 -1.069 1.00 0.00 C ATOM 688 CZ2 TRP A 43 9.740 7.571 -2.160 1.00 0.00 C ATOM 689 CZ3 TRP A 43 12.090 7.733 -1.636 1.00 0.00 C ATOM 690 CH2 TRP A 43 10.998 7.040 -2.175 1.00 0.00 C ATOM 0 H TRP A 43 10.698 9.978 2.262 1.00 0.00 H new ATOM 0 HA TRP A 43 11.045 12.896 2.036 1.00 0.00 H new ATOM 0 HB2 TRP A 43 10.625 12.842 -0.339 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.952 11.740 -0.030 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.091 11.556 -0.574 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.515 9.323 -1.742 1.00 0.00 H new ATOM 0 HE3 TRP A 43 12.779 9.513 -0.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.901 7.034 -2.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.071 7.283 -1.664 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.155 6.065 -2.612 1.00 0.00 H new ATOM 701 N PRO A 44 8.531 13.241 2.071 1.00 0.00 N ATOM 702 CA PRO A 44 7.090 13.416 2.301 1.00 0.00 C ATOM 703 C PRO A 44 6.268 13.104 1.052 1.00 0.00 C ATOM 704 O PRO A 44 6.764 13.229 -0.068 1.00 0.00 O ATOM 705 CB PRO A 44 6.965 14.894 2.670 1.00 0.00 C ATOM 706 CG PRO A 44 8.140 15.545 2.027 1.00 0.00 C ATOM 707 CD PRO A 44 9.249 14.531 2.070 1.00 0.00 C ATOM 0 HA PRO A 44 6.712 12.741 3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.029 15.316 2.304 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.977 15.035 3.751 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.914 15.833 1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.422 16.454 2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.911 14.622 1.209 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.867 14.648 2.960 1.00 0.00 H new ATOM 715 N ILE A 45 5.018 12.684 1.243 1.00 0.00 N ATOM 716 CA ILE A 45 4.159 12.341 0.112 1.00 0.00 C ATOM 717 C ILE A 45 2.795 13.020 0.168 1.00 0.00 C ATOM 718 O ILE A 45 2.137 13.062 1.207 1.00 0.00 O ATOM 719 CB ILE A 45 3.940 10.849 0.026 1.00 0.00 C ATOM 720 CG1 ILE A 45 3.616 10.270 1.410 1.00 0.00 C ATOM 721 CG2 ILE A 45 5.171 10.174 -0.556 1.00 0.00 C ATOM 722 CD1 ILE A 45 2.239 10.631 1.927 1.00 0.00 C ATOM 0 H ILE A 45 4.582 12.574 2.159 1.00 0.00 H new ATOM 0 HA ILE A 45 4.688 12.701 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 45 3.091 10.659 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.702 9.184 1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.363 10.621 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.003 9.099 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.363 10.566 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.031 10.373 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.090 10.183 2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.153 11.715 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.482 10.256 1.238 1.00 0.00 H new ATOM 734 N THR A 46 2.406 13.598 -0.956 1.00 0.00 N ATOM 735 CA THR A 46 1.139 14.326 -1.045 1.00 0.00 C ATOM 736 C THR A 46 0.380 14.179 -2.377 1.00 0.00 C ATOM 737 O THR A 46 0.986 14.332 -3.438 1.00 0.00 O ATOM 738 CB THR A 46 1.474 15.773 -0.800 1.00 0.00 C ATOM 739 OG1 THR A 46 0.321 16.539 -0.498 1.00 0.00 O ATOM 740 CG2 THR A 46 2.189 16.421 -1.968 1.00 0.00 C ATOM 0 H THR A 46 2.945 13.581 -1.822 1.00 0.00 H new ATOM 0 HA THR A 46 0.456 13.903 -0.309 1.00 0.00 H new ATOM 0 HB THR A 46 2.146 15.765 0.058 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.579 17.472 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.403 17.463 -1.731 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.123 15.893 -2.161 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.556 16.374 -2.854 1.00 0.00 H new ATOM 748 N ASP A 47 -0.952 13.987 -2.345 1.00 0.00 N ATOM 749 CA ASP A 47 -1.710 13.964 -3.625 1.00 0.00 C ATOM 750 C ASP A 47 -3.014 14.813 -3.609 1.00 0.00 C ATOM 751 O ASP A 47 -3.371 15.485 -2.617 1.00 0.00 O ATOM 752 CB ASP A 47 -2.016 12.541 -4.074 1.00 0.00 C ATOM 753 CG ASP A 47 -1.865 12.365 -5.572 1.00 0.00 C ATOM 754 OD1 ASP A 47 -0.721 12.434 -6.065 1.00 0.00 O ATOM 755 OD2 ASP A 47 -2.893 12.159 -6.252 1.00 0.00 O ATOM 0 H ASP A 47 -1.508 13.852 -1.500 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.044 14.433 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.349 11.849 -3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.033 12.281 -3.781 1.00 0.00 H new ATOM 760 N THR A 48 -3.732 14.788 -4.722 1.00 0.00 N ATOM 761 CA THR A 48 -4.977 15.539 -4.841 1.00 0.00 C ATOM 762 C THR A 48 -6.155 14.592 -5.033 1.00 0.00 C ATOM 763 O THR A 48 -6.267 13.931 -6.066 1.00 0.00 O ATOM 764 CB THR A 48 -4.897 16.522 -6.009 1.00 0.00 C ATOM 765 OG1 THR A 48 -6.133 17.193 -6.182 1.00 0.00 O ATOM 766 CG2 THR A 48 -4.544 15.861 -7.324 1.00 0.00 C ATOM 0 H THR A 48 -3.476 14.258 -5.555 1.00 0.00 H new ATOM 0 HA THR A 48 -5.128 16.101 -3.920 1.00 0.00 H new ATOM 0 HB THR A 48 -4.101 17.220 -5.748 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.063 17.819 -6.933 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.504 16.614 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.572 15.374 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.301 15.117 -7.572 1.00 0.00 H new ATOM 774 N LEU A 49 -7.030 14.522 -4.033 1.00 0.00 N ATOM 775 CA LEU A 49 -8.189 13.642 -4.105 1.00 0.00 C ATOM 776 C LEU A 49 -9.483 14.462 -4.035 1.00 0.00 C ATOM 777 O LEU A 49 -9.437 15.683 -3.890 1.00 0.00 O ATOM 778 CB LEU A 49 -8.103 12.606 -2.982 1.00 0.00 C ATOM 779 CG LEU A 49 -9.114 11.457 -3.046 1.00 0.00 C ATOM 780 CD1 LEU A 49 -9.097 10.806 -4.422 1.00 0.00 C ATOM 781 CD2 LEU A 49 -8.816 10.427 -1.965 1.00 0.00 C ATOM 0 H LEU A 49 -6.958 15.061 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.198 13.112 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.100 12.180 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.229 13.121 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.110 11.864 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.821 9.992 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.356 11.547 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.101 10.412 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.543 9.617 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.813 10.026 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.878 10.900 -0.985 1.00 0.00 H new ATOM 793 N THR A 50 -10.631 13.798 -4.167 1.00 0.00 N ATOM 794 CA THR A 50 -11.919 14.491 -4.147 1.00 0.00 C ATOM 795 C THR A 50 -12.756 14.136 -2.919 1.00 0.00 C ATOM 796 O THR A 50 -12.902 12.965 -2.566 1.00 0.00 O ATOM 797 CB THR A 50 -12.710 14.172 -5.417 1.00 0.00 C ATOM 798 OG1 THR A 50 -13.941 14.874 -5.431 1.00 0.00 O ATOM 799 CG2 THR A 50 -13.019 12.700 -5.576 1.00 0.00 C ATOM 0 H THR A 50 -10.696 12.787 -4.288 1.00 0.00 H new ATOM 0 HA THR A 50 -11.704 15.559 -4.100 1.00 0.00 H new ATOM 0 HB THR A 50 -12.069 14.483 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.892 15.633 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 50 -13.581 12.544 -6.497 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.088 12.135 -5.619 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.611 12.359 -4.727 1.00 0.00 H new ATOM 807 N ASN A 51 -13.334 15.164 -2.305 1.00 0.00 N ATOM 808 CA ASN A 51 -14.198 15.007 -1.146 1.00 0.00 C ATOM 809 C ASN A 51 -15.471 15.797 -1.386 1.00 0.00 C ATOM 810 O ASN A 51 -15.603 16.932 -0.926 1.00 0.00 O ATOM 811 CB ASN A 51 -13.505 15.509 0.124 1.00 0.00 C ATOM 812 CG ASN A 51 -14.123 14.939 1.386 1.00 0.00 C ATOM 813 OD1 ASN A 51 -14.474 15.678 2.308 1.00 0.00 O ATOM 814 ND2 ASN A 51 -14.260 13.619 1.436 1.00 0.00 N ATOM 0 H ASN A 51 -13.214 16.133 -2.601 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.427 13.951 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.449 15.242 0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -13.558 16.597 0.157 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -14.669 13.180 2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.956 13.045 0.650 1.00 0.00 H new ATOM 821 N LEU A 52 -16.390 15.218 -2.137 1.00 0.00 N ATOM 822 CA LEU A 52 -17.625 15.905 -2.463 1.00 0.00 C ATOM 823 C LEU A 52 -18.706 15.669 -1.419 1.00 0.00 C ATOM 824 O LEU A 52 -19.153 14.542 -1.208 1.00 0.00 O ATOM 825 CB LEU A 52 -18.128 15.470 -3.844 1.00 0.00 C ATOM 826 CG LEU A 52 -18.015 16.509 -4.974 1.00 0.00 C ATOM 827 CD1 LEU A 52 -17.985 17.921 -4.429 1.00 0.00 C ATOM 828 CD2 LEU A 52 -16.783 16.245 -5.824 1.00 0.00 C ATOM 0 H LEU A 52 -16.305 14.281 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.406 16.973 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -17.576 14.579 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -19.175 15.180 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.902 16.411 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -17.905 18.628 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -18.902 18.116 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.127 18.037 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -16.722 16.990 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -15.891 16.304 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.852 15.251 -6.265 1.00 0.00 H new ATOM 840 N ARG A 53 -19.138 16.754 -0.790 1.00 0.00 N ATOM 841 CA ARG A 53 -20.190 16.696 0.211 1.00 0.00 C ATOM 842 C ARG A 53 -21.565 16.833 -0.445 1.00 0.00 C ATOM 843 O ARG A 53 -22.555 17.090 0.232 1.00 0.00 O ATOM 844 CB ARG A 53 -19.994 17.773 1.279 1.00 0.00 C ATOM 845 CG ARG A 53 -18.903 17.444 2.284 1.00 0.00 C ATOM 846 CD ARG A 53 -19.448 16.640 3.452 1.00 0.00 C ATOM 847 NE ARG A 53 -19.461 15.207 3.170 1.00 0.00 N ATOM 848 CZ ARG A 53 -20.233 14.333 3.811 1.00 0.00 C ATOM 849 NH1 ARG A 53 -21.053 14.739 4.773 1.00 0.00 N ATOM 850 NH2 ARG A 53 -20.186 13.047 3.487 1.00 0.00 N ATOM 0 H ARG A 53 -18.771 17.691 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 53 -20.135 15.723 0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -19.753 18.717 0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -20.934 17.920 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -18.110 16.881 1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -18.456 18.367 2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.841 16.830 4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -20.460 16.974 3.681 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.842 14.856 2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -21.094 15.727 5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -21.642 14.063 5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.559 12.730 2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.777 12.376 3.977 1.00 0.00 H new ATOM 864 N GLY A 54 -21.607 16.721 -1.777 1.00 0.00 N ATOM 865 CA GLY A 54 -22.862 16.866 -2.502 1.00 0.00 C ATOM 866 C GLY A 54 -23.283 18.308 -2.571 1.00 0.00 C ATOM 867 O GLY A 54 -23.430 18.886 -3.648 1.00 0.00 O ATOM 0 H GLY A 54 -20.794 16.533 -2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -22.751 16.467 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -23.639 16.280 -2.011 1.00 0.00 H new ATOM 871 N ILE A 55 -23.425 18.885 -1.400 1.00 0.00 N ATOM 872 CA ILE A 55 -23.774 20.280 -1.256 1.00 0.00 C ATOM 873 C ILE A 55 -22.548 21.039 -0.783 1.00 0.00 C ATOM 874 O ILE A 55 -22.472 22.263 -0.886 1.00 0.00 O ATOM 875 CB ILE A 55 -24.928 20.483 -0.255 1.00 0.00 C ATOM 876 CG1 ILE A 55 -24.673 19.669 1.018 1.00 0.00 C ATOM 877 CG2 ILE A 55 -26.254 20.092 -0.895 1.00 0.00 C ATOM 878 CD1 ILE A 55 -25.852 19.625 1.963 1.00 0.00 C ATOM 0 H ILE A 55 -23.301 18.396 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 55 -24.111 20.654 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 55 -24.979 21.537 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -24.406 18.650 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -23.815 20.091 1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -27.062 20.240 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -26.431 20.712 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -26.220 19.044 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -25.594 19.031 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -26.107 20.638 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -26.706 19.174 1.458 1.00 0.00 H new ATOM 890 N GLY A 56 -21.575 20.283 -0.276 1.00 0.00 N ATOM 891 CA GLY A 56 -20.340 20.876 0.192 1.00 0.00 C ATOM 892 C GLY A 56 -19.149 20.478 -0.664 1.00 0.00 C ATOM 893 O GLY A 56 -18.232 19.803 -0.193 1.00 0.00 O ATOM 0 H GLY A 56 -21.624 19.268 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -20.438 21.962 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -20.161 20.572 1.223 1.00 0.00 H new ATOM 897 N GLN A 57 -19.178 20.880 -1.930 1.00 0.00 N ATOM 898 CA GLN A 57 -18.107 20.561 -2.871 1.00 0.00 C ATOM 899 C GLN A 57 -16.723 20.744 -2.249 1.00 0.00 C ATOM 900 O GLN A 57 -16.161 21.840 -2.271 1.00 0.00 O ATOM 901 CB GLN A 57 -18.235 21.430 -4.125 1.00 0.00 C ATOM 902 CG GLN A 57 -17.125 21.208 -5.140 1.00 0.00 C ATOM 903 CD GLN A 57 -17.456 21.781 -6.503 1.00 0.00 C ATOM 904 OE1 GLN A 57 -17.603 21.048 -7.480 1.00 0.00 O ATOM 905 NE2 GLN A 57 -17.574 23.103 -6.576 1.00 0.00 N ATOM 0 H GLN A 57 -19.937 21.431 -2.332 1.00 0.00 H new ATOM 0 HA GLN A 57 -18.210 19.510 -3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.195 21.227 -4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.240 22.479 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.206 21.664 -4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.935 20.139 -5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.444 23.674 -5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.795 23.547 -7.467 1.00 0.00 H new ATOM 914 N SER A 58 -16.178 19.661 -1.698 1.00 0.00 N ATOM 915 CA SER A 58 -14.859 19.697 -1.074 1.00 0.00 C ATOM 916 C SER A 58 -13.859 18.823 -1.834 1.00 0.00 C ATOM 917 O SER A 58 -14.215 18.138 -2.794 1.00 0.00 O ATOM 918 CB SER A 58 -14.953 19.243 0.383 1.00 0.00 C ATOM 919 OG SER A 58 -14.294 20.154 1.246 1.00 0.00 O ATOM 0 H SER A 58 -16.631 18.747 -1.672 1.00 0.00 H new ATOM 0 HA SER A 58 -14.500 20.726 -1.107 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.000 19.156 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.510 18.253 0.488 1.00 0.00 H new ATOM 0 HG SER A 58 -14.370 19.841 2.172 1.00 0.00 H new ATOM 925 N ASN A 59 -12.607 18.855 -1.389 1.00 0.00 N ATOM 926 CA ASN A 59 -11.539 18.072 -2.009 1.00 0.00 C ATOM 927 C ASN A 59 -10.861 17.172 -0.976 1.00 0.00 C ATOM 928 O ASN A 59 -10.608 17.597 0.152 1.00 0.00 O ATOM 929 CB ASN A 59 -10.506 19.002 -2.644 1.00 0.00 C ATOM 930 CG ASN A 59 -11.051 19.731 -3.857 1.00 0.00 C ATOM 931 OD1 ASN A 59 -11.593 19.113 -4.775 1.00 0.00 O ATOM 932 ND2 ASN A 59 -10.912 21.052 -3.867 1.00 0.00 N ATOM 0 H ASN A 59 -12.304 19.419 -0.595 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.979 17.444 -2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.174 19.731 -1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.630 18.422 -2.935 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.261 21.596 -4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.456 21.523 -3.085 1.00 0.00 H new ATOM 939 N ASN A 60 -10.567 15.929 -1.357 1.00 0.00 N ATOM 940 CA ASN A 60 -9.918 14.994 -0.441 1.00 0.00 C ATOM 941 C ASN A 60 -8.428 15.321 -0.290 1.00 0.00 C ATOM 942 O ASN A 60 -7.810 15.920 -1.178 1.00 0.00 O ATOM 943 CB ASN A 60 -10.113 13.546 -0.893 1.00 0.00 C ATOM 944 CG ASN A 60 -11.164 12.815 -0.080 1.00 0.00 C ATOM 945 OD1 ASN A 60 -12.358 13.081 -0.201 1.00 0.00 O ATOM 946 ND2 ASN A 60 -10.721 11.880 0.752 1.00 0.00 N ATOM 0 H ASN A 60 -10.765 15.550 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.392 15.105 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.400 13.534 -1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.165 13.015 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.381 11.350 1.322 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.721 11.691 0.821 1.00 0.00 H new ATOM 953 N PRO A 61 -7.849 14.946 0.866 1.00 0.00 N ATOM 954 CA PRO A 61 -6.438 15.215 1.203 1.00 0.00 C ATOM 955 C PRO A 61 -5.414 14.392 0.421 1.00 0.00 C ATOM 956 O PRO A 61 -5.555 13.181 0.251 1.00 0.00 O ATOM 957 CB PRO A 61 -6.367 14.855 2.688 1.00 0.00 C ATOM 958 CG PRO A 61 -7.431 13.830 2.870 1.00 0.00 C ATOM 959 CD PRO A 61 -8.548 14.245 1.955 1.00 0.00 C ATOM 0 HA PRO A 61 -6.179 16.244 0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.386 14.462 2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.543 15.727 3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.065 12.835 2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.766 13.792 3.906 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.107 13.385 1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.261 14.896 2.460 1.00 0.00 H new ATOM 967 N LYS A 62 -4.388 15.092 -0.064 1.00 0.00 N ATOM 968 CA LYS A 62 -3.321 14.524 -0.841 1.00 0.00 C ATOM 969 C LYS A 62 -2.833 13.193 -0.301 1.00 0.00 C ATOM 970 O LYS A 62 -2.349 13.119 0.798 1.00 0.00 O ATOM 971 CB LYS A 62 -2.137 15.548 -0.818 1.00 0.00 C ATOM 972 CG LYS A 62 -2.427 16.871 -0.116 1.00 0.00 C ATOM 973 CD LYS A 62 -2.532 16.698 1.392 1.00 0.00 C ATOM 974 CE LYS A 62 -3.573 17.633 1.987 1.00 0.00 C ATOM 975 NZ LYS A 62 -4.006 17.191 3.344 1.00 0.00 N ATOM 0 H LYS A 62 -4.287 16.096 0.085 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.692 14.334 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.282 15.078 -0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.842 15.759 -1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.637 17.586 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.357 17.290 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.793 15.666 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.562 16.892 1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.163 18.641 2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.439 17.680 1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.931 17.611 3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.082 16.154 3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.307 17.500 4.049 1.00 0.00 H new ATOM 989 N GLN A 63 -2.865 12.168 -1.145 1.00 0.00 N ATOM 990 CA GLN A 63 -2.383 10.840 -0.773 1.00 0.00 C ATOM 991 C GLN A 63 -1.209 10.419 -1.641 1.00 0.00 C ATOM 992 O GLN A 63 -1.331 10.343 -2.858 1.00 0.00 O ATOM 993 CB GLN A 63 -3.514 9.816 -0.917 1.00 0.00 C ATOM 994 CG GLN A 63 -3.919 9.149 0.386 1.00 0.00 C ATOM 995 CD GLN A 63 -5.338 9.489 0.800 1.00 0.00 C ATOM 996 OE1 GLN A 63 -5.858 10.552 0.457 1.00 0.00 O ATOM 997 NE2 GLN A 63 -5.973 8.587 1.537 1.00 0.00 N ATOM 0 H GLN A 63 -3.222 12.231 -2.098 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.050 10.881 0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.386 10.312 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.205 9.047 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.824 8.068 0.281 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.231 9.454 1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.504 7.720 1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.931 8.761 1.843 1.00 0.00 H new ATOM 1006 N SER A 64 -0.080 10.132 -1.005 1.00 0.00 N ATOM 1007 CA SER A 64 1.126 9.706 -1.713 1.00 0.00 C ATOM 1008 C SER A 64 0.800 8.861 -2.937 1.00 0.00 C ATOM 1009 O SER A 64 -0.291 8.304 -3.053 1.00 0.00 O ATOM 1010 CB SER A 64 1.985 8.825 -0.825 1.00 0.00 C ATOM 1011 OG SER A 64 3.282 8.665 -1.368 1.00 0.00 O ATOM 0 H SER A 64 0.028 10.186 0.008 1.00 0.00 H new ATOM 0 HA SER A 64 1.640 10.623 -2.002 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.056 9.265 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.513 7.849 -0.709 1.00 0.00 H new ATOM 0 HG SER A 64 3.642 7.793 -1.104 1.00 0.00 H new ATOM 1017 N SER A 65 1.780 8.727 -3.813 1.00 0.00 N ATOM 1018 CA SER A 65 1.631 7.911 -5.008 1.00 0.00 C ATOM 1019 C SER A 65 2.590 6.715 -4.984 1.00 0.00 C ATOM 1020 O SER A 65 2.389 5.745 -5.713 1.00 0.00 O ATOM 1021 CB SER A 65 1.873 8.750 -6.263 1.00 0.00 C ATOM 1022 OG SER A 65 3.181 9.296 -6.266 1.00 0.00 O ATOM 0 H SER A 65 2.692 9.174 -3.720 1.00 0.00 H new ATOM 0 HA SER A 65 0.610 7.531 -5.027 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.731 8.133 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.139 9.555 -6.314 1.00 0.00 H new ATOM 0 HG SER A 65 3.312 9.827 -7.079 1.00 0.00 H new ATOM 1028 N LYS A 66 3.638 6.798 -4.149 1.00 0.00 N ATOM 1029 CA LYS A 66 4.638 5.725 -4.030 1.00 0.00 C ATOM 1030 C LYS A 66 3.995 4.355 -4.219 1.00 0.00 C ATOM 1031 O LYS A 66 3.192 3.921 -3.395 1.00 0.00 O ATOM 1032 CB LYS A 66 5.330 5.799 -2.665 1.00 0.00 C ATOM 1033 CG LYS A 66 6.293 4.651 -2.399 1.00 0.00 C ATOM 1034 CD LYS A 66 7.387 4.583 -3.451 1.00 0.00 C ATOM 1035 CE LYS A 66 8.452 3.564 -3.080 1.00 0.00 C ATOM 1036 NZ LYS A 66 8.097 2.195 -3.550 1.00 0.00 N ATOM 0 H LYS A 66 3.815 7.600 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 66 5.381 5.863 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.875 6.741 -2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.570 5.811 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.742 4.773 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.743 3.710 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.951 4.321 -4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.845 5.565 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.406 3.861 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.584 3.554 -1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.214 1.519 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.108 2.184 -3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.721 1.926 -4.337 1.00 0.00 H new ATOM 1050 N TYR A 67 4.333 3.691 -5.322 1.00 0.00 N ATOM 1051 CA TYR A 67 3.756 2.392 -5.627 1.00 0.00 C ATOM 1052 C TYR A 67 4.407 1.263 -4.845 1.00 0.00 C ATOM 1053 O TYR A 67 5.621 1.236 -4.645 1.00 0.00 O ATOM 1054 CB TYR A 67 3.809 2.129 -7.136 1.00 0.00 C ATOM 1055 CG TYR A 67 5.069 1.453 -7.626 1.00 0.00 C ATOM 1056 CD1 TYR A 67 6.321 1.844 -7.171 1.00 0.00 C ATOM 1057 CD2 TYR A 67 4.997 0.426 -8.554 1.00 0.00 C ATOM 1058 CE1 TYR A 67 7.467 1.225 -7.628 1.00 0.00 C ATOM 1059 CE2 TYR A 67 6.136 -0.197 -9.017 1.00 0.00 C ATOM 1060 CZ TYR A 67 7.371 0.204 -8.551 1.00 0.00 C ATOM 1061 OH TYR A 67 8.512 -0.414 -9.011 1.00 0.00 O ATOM 0 H TYR A 67 5.000 4.032 -6.014 1.00 0.00 H new ATOM 0 HA TYR A 67 2.713 2.417 -5.311 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.954 1.512 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.698 3.079 -7.659 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.399 2.644 -6.449 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.032 0.109 -8.921 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.435 1.539 -7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.062 -0.995 -9.741 1.00 0.00 H new ATOM 0 HH TYR A 67 8.269 -1.112 -9.655 1.00 0.00 H new ATOM 1071 N LEU A 68 3.572 0.330 -4.406 1.00 0.00 N ATOM 1072 CA LEU A 68 4.032 -0.818 -3.646 1.00 0.00 C ATOM 1073 C LEU A 68 3.963 -2.076 -4.496 1.00 0.00 C ATOM 1074 O LEU A 68 3.131 -2.183 -5.407 1.00 0.00 O ATOM 1075 CB LEU A 68 3.187 -0.994 -2.383 1.00 0.00 C ATOM 1076 CG LEU A 68 3.986 -1.169 -1.089 1.00 0.00 C ATOM 1077 CD1 LEU A 68 5.056 -0.093 -0.969 1.00 0.00 C ATOM 1078 CD2 LEU A 68 3.057 -1.139 0.114 1.00 0.00 C ATOM 0 H LEU A 68 2.565 0.350 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 68 5.068 -0.646 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.536 -0.126 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.542 -1.863 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 68 4.482 -2.139 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.613 -0.235 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.738 -0.162 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.585 0.890 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.639 -1.265 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.534 -0.183 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.331 -1.948 0.033 1.00 0.00 H new ATOM 1090 N THR A 69 4.842 -3.024 -4.198 1.00 0.00 N ATOM 1091 CA THR A 69 4.889 -4.273 -4.935 1.00 0.00 C ATOM 1092 C THR A 69 4.684 -5.470 -4.015 1.00 0.00 C ATOM 1093 O THR A 69 5.611 -5.925 -3.351 1.00 0.00 O ATOM 1094 CB THR A 69 6.222 -4.394 -5.672 1.00 0.00 C ATOM 1095 OG1 THR A 69 7.307 -4.235 -4.777 1.00 0.00 O ATOM 1096 CG2 THR A 69 6.379 -3.373 -6.777 1.00 0.00 C ATOM 0 H THR A 69 5.531 -2.949 -3.450 1.00 0.00 H new ATOM 0 HA THR A 69 4.076 -4.268 -5.661 1.00 0.00 H new ATOM 0 HB THR A 69 6.224 -5.390 -6.114 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.151 -4.318 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.345 -3.509 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.582 -3.504 -7.509 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.323 -2.369 -6.356 1.00 0.00 H new ATOM 1104 N TRP A 70 3.459 -5.983 -4.008 1.00 0.00 N ATOM 1105 CA TRP A 70 3.103 -7.141 -3.203 1.00 0.00 C ATOM 1106 C TRP A 70 3.083 -8.376 -4.088 1.00 0.00 C ATOM 1107 O TRP A 70 2.436 -8.393 -5.133 1.00 0.00 O ATOM 1108 CB TRP A 70 1.730 -6.942 -2.549 1.00 0.00 C ATOM 1109 CG TRP A 70 1.606 -7.562 -1.184 1.00 0.00 C ATOM 1110 CD1 TRP A 70 2.554 -8.283 -0.515 1.00 0.00 C ATOM 1111 CD2 TRP A 70 0.460 -7.518 -0.323 1.00 0.00 C ATOM 1112 NE1 TRP A 70 2.064 -8.687 0.706 1.00 0.00 N ATOM 1113 CE2 TRP A 70 0.789 -8.229 0.844 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -0.813 -6.947 -0.422 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -0.100 -8.385 1.898 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -1.697 -7.105 0.629 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -1.333 -7.819 1.777 1.00 0.00 C ATOM 0 H TRP A 70 2.688 -5.607 -4.560 1.00 0.00 H new ATOM 0 HA TRP A 70 3.843 -7.267 -2.412 1.00 0.00 H new ATOM 0 HB2 TRP A 70 1.528 -5.874 -2.471 1.00 0.00 H new ATOM 0 HB3 TRP A 70 0.965 -7.365 -3.200 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.543 -8.504 -0.889 1.00 0.00 H new ATOM 0 HE1 TRP A 70 2.573 -9.240 1.396 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.100 -6.393 -1.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.176 -8.937 2.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.684 -6.671 0.564 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.044 -7.923 2.583 1.00 0.00 H new ATOM 1128 N ARG A 71 3.807 -9.396 -3.672 1.00 0.00 N ATOM 1129 CA ARG A 71 3.893 -10.633 -4.423 1.00 0.00 C ATOM 1130 C ARG A 71 3.909 -11.821 -3.477 1.00 0.00 C ATOM 1131 O ARG A 71 4.608 -11.807 -2.463 1.00 0.00 O ATOM 1132 CB ARG A 71 5.147 -10.623 -5.292 1.00 0.00 C ATOM 1133 CG ARG A 71 4.899 -10.139 -6.711 1.00 0.00 C ATOM 1134 CD ARG A 71 5.102 -8.637 -6.831 1.00 0.00 C ATOM 1135 NE ARG A 71 6.390 -8.211 -6.287 1.00 0.00 N ATOM 1136 CZ ARG A 71 7.541 -8.290 -6.951 1.00 0.00 C ATOM 1137 NH1 ARG A 71 7.571 -8.779 -8.185 1.00 0.00 N ATOM 1138 NH2 ARG A 71 8.665 -7.879 -6.382 1.00 0.00 N ATOM 0 H ARG A 71 4.350 -9.391 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 71 3.019 -10.721 -5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.897 -9.985 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.562 -11.630 -5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.573 -10.654 -7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.883 -10.395 -7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.038 -8.346 -7.879 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.299 -8.120 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 71 6.408 -7.830 -5.341 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.709 -9.096 -8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.456 -8.837 -8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.649 -7.502 -5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.546 -7.940 -6.892 1.00 0.00 H new ATOM 1152 N ASP A 72 3.141 -12.850 -3.803 1.00 0.00 N ATOM 1153 CA ASP A 72 3.086 -14.033 -2.964 1.00 0.00 C ATOM 1154 C ASP A 72 4.303 -14.906 -3.210 1.00 0.00 C ATOM 1155 O ASP A 72 4.958 -14.788 -4.246 1.00 0.00 O ATOM 1156 CB ASP A 72 1.802 -14.827 -3.216 1.00 0.00 C ATOM 1157 CG ASP A 72 1.705 -15.356 -4.633 1.00 0.00 C ATOM 1158 OD1 ASP A 72 2.698 -15.936 -5.123 1.00 0.00 O ATOM 1159 OD2 ASP A 72 0.634 -15.194 -5.255 1.00 0.00 O ATOM 0 H ASP A 72 2.553 -12.888 -4.635 1.00 0.00 H new ATOM 0 HA ASP A 72 3.085 -13.712 -1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.754 -15.662 -2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.941 -14.191 -3.011 1.00 0.00 H new ATOM 1164 N LYS A 73 4.598 -15.768 -2.244 1.00 0.00 N ATOM 1165 CA LYS A 73 5.743 -16.677 -2.317 1.00 0.00 C ATOM 1166 C LYS A 73 5.940 -17.259 -3.715 1.00 0.00 C ATOM 1167 O LYS A 73 7.061 -17.596 -4.099 1.00 0.00 O ATOM 1168 CB LYS A 73 5.580 -17.804 -1.299 1.00 0.00 C ATOM 1169 CG LYS A 73 4.483 -18.800 -1.646 1.00 0.00 C ATOM 1170 CD LYS A 73 3.122 -18.135 -1.774 1.00 0.00 C ATOM 1171 CE LYS A 73 1.998 -19.101 -1.433 1.00 0.00 C ATOM 1172 NZ LYS A 73 0.762 -18.390 -1.001 1.00 0.00 N ATOM 0 H LYS A 73 4.052 -15.859 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 73 6.634 -16.093 -2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.526 -18.338 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.366 -17.369 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.731 -19.299 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.438 -19.571 -0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.074 -17.270 -1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.990 -17.765 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.775 -19.719 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.326 -19.773 -0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.609 -18.547 0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.866 -17.371 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.053 -18.755 -1.534 1.00 0.00 H new ATOM 1186 N GLU A 74 4.859 -17.365 -4.482 1.00 0.00 N ATOM 1187 CA GLU A 74 4.943 -17.892 -5.839 1.00 0.00 C ATOM 1188 C GLU A 74 5.646 -16.896 -6.762 1.00 0.00 C ATOM 1189 O GLU A 74 5.813 -17.154 -7.954 1.00 0.00 O ATOM 1190 CB GLU A 74 3.545 -18.211 -6.375 1.00 0.00 C ATOM 1191 CG GLU A 74 3.471 -19.525 -7.136 1.00 0.00 C ATOM 1192 CD GLU A 74 2.184 -19.669 -7.926 1.00 0.00 C ATOM 1193 OE1 GLU A 74 2.107 -19.113 -9.041 1.00 0.00 O ATOM 1194 OE2 GLU A 74 1.254 -20.339 -7.429 1.00 0.00 O ATOM 0 H GLU A 74 3.920 -17.095 -4.189 1.00 0.00 H new ATOM 0 HA GLU A 74 5.527 -18.812 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.844 -18.244 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.223 -17.402 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.320 -19.595 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.556 -20.353 -6.433 1.00 0.00 H new ATOM 1201 N ASN A 75 6.058 -15.759 -6.200 1.00 0.00 N ATOM 1202 CA ASN A 75 6.747 -14.720 -6.958 1.00 0.00 C ATOM 1203 C ASN A 75 5.776 -13.939 -7.841 1.00 0.00 C ATOM 1204 O ASN A 75 6.064 -13.678 -9.009 1.00 0.00 O ATOM 1205 CB ASN A 75 7.860 -15.328 -7.816 1.00 0.00 C ATOM 1206 CG ASN A 75 9.041 -14.392 -7.976 1.00 0.00 C ATOM 1207 OD1 ASN A 75 9.034 -13.507 -8.834 1.00 0.00 O ATOM 1208 ND2 ASN A 75 10.063 -14.584 -7.152 1.00 0.00 N ATOM 0 H ASN A 75 5.924 -15.535 -5.214 1.00 0.00 H new ATOM 0 HA ASN A 75 7.188 -14.028 -6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.197 -16.260 -7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.462 -15.578 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.887 -13.986 -7.214 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.025 -15.329 -6.457 1.00 0.00 H new ATOM 1215 N ASN A 76 4.625 -13.561 -7.280 1.00 0.00 N ATOM 1216 CA ASN A 76 3.629 -12.800 -8.042 1.00 0.00 C ATOM 1217 C ASN A 76 2.339 -12.588 -7.250 1.00 0.00 C ATOM 1218 O ASN A 76 1.869 -13.489 -6.559 1.00 0.00 O ATOM 1219 CB ASN A 76 3.305 -13.513 -9.360 1.00 0.00 C ATOM 1220 CG ASN A 76 3.043 -14.993 -9.168 1.00 0.00 C ATOM 1221 OD1 ASN A 76 4.031 -15.818 -9.498 1.00 0.00 O flip ATOM 1222 ND2 ASN A 76 1.964 -15.394 -8.728 1.00 0.00 N flip ATOM 0 H ASN A 76 4.361 -13.765 -6.316 1.00 0.00 H new ATOM 0 HA ASN A 76 4.064 -11.822 -8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.431 -13.048 -9.816 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.135 -13.381 -10.055 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.232 -14.726 -8.487 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.803 -16.394 -8.605 1.00 0.00 H new ATOM 1229 N SER A 77 1.759 -11.393 -7.377 1.00 0.00 N ATOM 1230 CA SER A 77 0.507 -11.066 -6.693 1.00 0.00 C ATOM 1231 C SER A 77 -0.083 -9.759 -7.214 1.00 0.00 C ATOM 1232 O SER A 77 -1.279 -9.684 -7.500 1.00 0.00 O ATOM 1233 CB SER A 77 0.705 -10.970 -5.180 1.00 0.00 C ATOM 1234 OG SER A 77 -0.471 -10.510 -4.543 1.00 0.00 O ATOM 0 H SER A 77 2.136 -10.636 -7.947 1.00 0.00 H new ATOM 0 HA SER A 77 -0.190 -11.877 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.979 -11.947 -4.783 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.531 -10.293 -4.960 1.00 0.00 H new ATOM 0 HG SER A 77 -0.320 -10.458 -3.576 1.00 0.00 H new ATOM 1240 N GLY A 78 0.750 -8.725 -7.329 1.00 0.00 N ATOM 1241 CA GLY A 78 0.266 -7.447 -7.809 1.00 0.00 C ATOM 1242 C GLY A 78 1.070 -6.287 -7.265 1.00 0.00 C ATOM 1243 O GLY A 78 1.573 -6.341 -6.143 1.00 0.00 O ATOM 0 H GLY A 78 1.743 -8.752 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.303 -7.433 -8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.779 -7.327 -7.524 1.00 0.00 H new ATOM 1247 N LEU A 79 1.193 -5.235 -8.060 1.00 0.00 N ATOM 1248 CA LEU A 79 1.946 -4.057 -7.654 1.00 0.00 C ATOM 1249 C LEU A 79 1.479 -2.827 -8.422 1.00 0.00 C ATOM 1250 O LEU A 79 1.455 -2.829 -9.653 1.00 0.00 O ATOM 1251 CB LEU A 79 3.436 -4.292 -7.885 1.00 0.00 C ATOM 1252 CG LEU A 79 3.849 -4.444 -9.350 1.00 0.00 C ATOM 1253 CD1 LEU A 79 4.755 -3.299 -9.766 1.00 0.00 C ATOM 1254 CD2 LEU A 79 4.538 -5.785 -9.576 1.00 0.00 C ATOM 0 H LEU A 79 0.781 -5.172 -8.991 1.00 0.00 H new ATOM 0 HA LEU A 79 1.773 -3.880 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.991 -3.460 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.735 -5.190 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 79 2.951 -4.414 -9.967 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.040 -3.422 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.227 -2.354 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.650 -3.298 -9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.824 -5.875 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.428 -5.847 -8.950 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.855 -6.593 -9.316 1.00 0.00 H new ATOM 1266 N ILE A 80 1.106 -1.780 -7.692 1.00 0.00 N ATOM 1267 CA ILE A 80 0.634 -0.546 -8.320 1.00 0.00 C ATOM 1268 C ILE A 80 0.753 0.650 -7.381 1.00 0.00 C ATOM 1269 O ILE A 80 0.914 0.488 -6.172 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.834 -0.663 -8.781 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -1.763 -0.855 -7.578 1.00 0.00 C ATOM 1272 CG2 ILE A 80 -0.999 -1.806 -9.771 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -2.504 0.403 -7.185 1.00 0.00 C ATOM 0 H ILE A 80 1.120 -1.759 -6.672 1.00 0.00 H new ATOM 0 HA ILE A 80 1.274 -0.389 -9.188 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.108 0.265 -9.283 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.486 -1.637 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.177 -1.203 -6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.042 -1.870 -10.082 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.370 -1.626 -10.643 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.704 -2.743 -9.298 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.143 0.196 -6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.787 1.181 -6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.117 0.740 -8.021 1.00 0.00 H new ATOM 1285 N LYS A 81 0.673 1.848 -7.956 1.00 0.00 N ATOM 1286 CA LYS A 81 0.772 3.091 -7.192 1.00 0.00 C ATOM 1287 C LYS A 81 -0.519 3.393 -6.424 1.00 0.00 C ATOM 1288 O LYS A 81 -1.529 3.771 -7.019 1.00 0.00 O ATOM 1289 CB LYS A 81 1.097 4.256 -8.128 1.00 0.00 C ATOM 1290 CG LYS A 81 0.117 4.401 -9.282 1.00 0.00 C ATOM 1291 CD LYS A 81 0.730 3.945 -10.598 1.00 0.00 C ATOM 1292 CE LYS A 81 0.044 4.599 -11.787 1.00 0.00 C ATOM 1293 NZ LYS A 81 -1.289 3.995 -12.061 1.00 0.00 N ATOM 0 H LYS A 81 0.539 1.985 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 81 1.574 2.966 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.107 5.182 -7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.101 4.119 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.779 3.816 -9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.195 5.442 -9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.792 4.189 -10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.651 2.861 -10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.073 5.666 -11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.676 4.500 -12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.723 4.469 -12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.175 2.982 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.901 4.112 -11.228 1.00 0.00 H new ATOM 1307 N PRO A 82 -0.505 3.234 -5.086 1.00 0.00 N ATOM 1308 CA PRO A 82 -1.657 3.491 -4.238 1.00 0.00 C ATOM 1309 C PRO A 82 -1.648 4.890 -3.637 1.00 0.00 C ATOM 1310 O PRO A 82 -0.758 5.697 -3.909 1.00 0.00 O ATOM 1311 CB PRO A 82 -1.470 2.449 -3.143 1.00 0.00 C ATOM 1312 CG PRO A 82 0.012 2.361 -2.965 1.00 0.00 C ATOM 1313 CD PRO A 82 0.638 2.788 -4.274 1.00 0.00 C ATOM 0 HA PRO A 82 -2.600 3.432 -4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.964 2.750 -2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.894 1.487 -3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.342 3.006 -2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.310 1.345 -2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.361 3.590 -4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.169 1.964 -4.750 1.00 0.00 H new ATOM 1321 N PHE A 83 -2.647 5.157 -2.812 1.00 0.00 N ATOM 1322 CA PHE A 83 -2.783 6.442 -2.145 1.00 0.00 C ATOM 1323 C PHE A 83 -2.416 6.317 -0.673 1.00 0.00 C ATOM 1324 O PHE A 83 -2.974 5.496 0.051 1.00 0.00 O ATOM 1325 CB PHE A 83 -4.212 6.969 -2.304 1.00 0.00 C ATOM 1326 CG PHE A 83 -4.396 7.829 -3.520 1.00 0.00 C ATOM 1327 CD1 PHE A 83 -3.376 8.654 -3.961 1.00 0.00 C ATOM 1328 CD2 PHE A 83 -5.589 7.811 -4.222 1.00 0.00 C ATOM 1329 CE1 PHE A 83 -3.540 9.446 -5.080 1.00 0.00 C ATOM 1330 CE2 PHE A 83 -5.761 8.601 -5.344 1.00 0.00 C ATOM 1331 CZ PHE A 83 -4.734 9.420 -5.774 1.00 0.00 C ATOM 0 H PHE A 83 -3.385 4.491 -2.586 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.098 7.153 -2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.899 6.125 -2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.481 7.543 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.440 8.679 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.394 7.173 -3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.735 10.085 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.696 8.578 -5.883 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.865 10.038 -6.650 1.00 0.00 H new ATOM 1341 N VAL A 84 -1.444 7.111 -0.246 1.00 0.00 N ATOM 1342 CA VAL A 84 -0.967 7.067 1.122 1.00 0.00 C ATOM 1343 C VAL A 84 -1.176 8.385 1.868 1.00 0.00 C ATOM 1344 O VAL A 84 -0.528 9.386 1.575 1.00 0.00 O ATOM 1345 CB VAL A 84 0.533 6.745 1.122 1.00 0.00 C ATOM 1346 CG1 VAL A 84 0.991 6.324 2.486 1.00 0.00 C ATOM 1347 CG2 VAL A 84 0.865 5.677 0.090 1.00 0.00 C ATOM 0 H VAL A 84 -0.970 7.796 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.544 6.298 1.636 1.00 0.00 H new ATOM 0 HB VAL A 84 1.068 7.655 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.058 6.101 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.806 7.130 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.442 5.434 2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.935 5.469 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.313 4.765 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.585 6.030 -0.902 1.00 0.00 H new ATOM 1357 N ILE A 85 -2.048 8.364 2.872 1.00 0.00 N ATOM 1358 CA ILE A 85 -2.295 9.549 3.693 1.00 0.00 C ATOM 1359 C ILE A 85 -2.061 9.195 5.160 1.00 0.00 C ATOM 1360 O ILE A 85 -2.318 8.065 5.575 1.00 0.00 O ATOM 1361 CB ILE A 85 -3.726 10.123 3.480 1.00 0.00 C ATOM 1362 CG1 ILE A 85 -3.678 11.349 2.552 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -4.397 10.490 4.798 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -3.302 12.646 3.241 1.00 0.00 C ATOM 0 H ILE A 85 -2.594 7.544 3.137 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.601 10.332 3.388 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.323 9.340 3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.962 11.156 1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.654 11.472 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.393 10.886 4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.477 9.602 5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.801 11.245 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.293 13.456 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.030 12.868 4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.312 12.548 3.686 1.00 0.00 H new ATOM 1376 N PRO A 86 -1.553 10.140 5.965 1.00 0.00 N ATOM 1377 CA PRO A 86 -1.273 9.887 7.377 1.00 0.00 C ATOM 1378 C PRO A 86 -2.521 9.924 8.251 1.00 0.00 C ATOM 1379 O PRO A 86 -2.545 10.590 9.287 1.00 0.00 O ATOM 1380 CB PRO A 86 -0.317 11.019 7.747 1.00 0.00 C ATOM 1381 CG PRO A 86 -0.702 12.143 6.848 1.00 0.00 C ATOM 1382 CD PRO A 86 -1.192 11.514 5.567 1.00 0.00 C ATOM 0 HA PRO A 86 -0.864 8.889 7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.419 11.297 8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.722 10.727 7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.481 12.755 7.303 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.148 12.798 6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.049 12.051 5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.419 11.518 4.798 1.00 0.00 H new ATOM 1390 N ASN A 87 -3.551 9.193 7.841 1.00 0.00 N ATOM 1391 CA ASN A 87 -4.791 9.133 8.602 1.00 0.00 C ATOM 1392 C ASN A 87 -5.382 7.722 8.595 1.00 0.00 C ATOM 1393 O ASN A 87 -6.490 7.505 9.086 1.00 0.00 O ATOM 1394 CB ASN A 87 -5.807 10.149 8.062 1.00 0.00 C ATOM 1395 CG ASN A 87 -6.497 9.692 6.787 1.00 0.00 C ATOM 1396 OD1 ASN A 87 -6.198 8.625 6.247 1.00 0.00 O ATOM 1397 ND2 ASN A 87 -7.427 10.502 6.296 1.00 0.00 N ATOM 0 H ASN A 87 -3.551 8.635 6.987 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.560 9.391 9.636 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.561 10.340 8.826 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.299 11.095 7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.924 10.250 5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.645 11.377 6.773 1.00 0.00 H new ATOM 1404 N LEU A 88 -4.641 6.766 8.036 1.00 0.00 N ATOM 1405 CA LEU A 88 -5.100 5.386 7.969 1.00 0.00 C ATOM 1406 C LEU A 88 -6.283 5.256 7.016 1.00 0.00 C ATOM 1407 O LEU A 88 -7.438 5.288 7.441 1.00 0.00 O ATOM 1408 CB LEU A 88 -5.486 4.878 9.362 1.00 0.00 C ATOM 1409 CG LEU A 88 -4.883 3.526 9.745 1.00 0.00 C ATOM 1410 CD1 LEU A 88 -5.263 2.465 8.723 1.00 0.00 C ATOM 1411 CD2 LEU A 88 -3.371 3.632 9.867 1.00 0.00 C ATOM 0 H LEU A 88 -3.721 6.925 7.624 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.281 4.775 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.179 5.618 10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.572 4.804 9.417 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.286 3.231 10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.825 1.509 9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.348 2.370 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.888 2.755 7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.959 2.661 10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.950 3.949 8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.118 4.362 10.636 1.00 0.00 H new ATOM 1423 N PRO A 89 -6.012 5.108 5.706 1.00 0.00 N ATOM 1424 CA PRO A 89 -7.055 4.972 4.690 1.00 0.00 C ATOM 1425 C PRO A 89 -7.666 3.573 4.665 1.00 0.00 C ATOM 1426 O PRO A 89 -8.120 3.106 3.621 1.00 0.00 O ATOM 1427 CB PRO A 89 -6.317 5.258 3.368 1.00 0.00 C ATOM 1428 CG PRO A 89 -4.935 5.679 3.758 1.00 0.00 C ATOM 1429 CD PRO A 89 -4.682 5.063 5.099 1.00 0.00 C ATOM 0 HA PRO A 89 -7.891 5.645 4.880 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.292 4.372 2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.819 6.042 2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.202 5.338 3.027 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.856 6.765 3.806 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -4.305 4.044 5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.950 5.628 5.676 1.00 0.00 H new ATOM 1437 N VAL A 90 -7.679 2.910 5.825 1.00 0.00 N ATOM 1438 CA VAL A 90 -8.238 1.569 5.946 1.00 0.00 C ATOM 1439 C VAL A 90 -7.327 0.510 5.325 1.00 0.00 C ATOM 1440 O VAL A 90 -7.674 -0.670 5.295 1.00 0.00 O ATOM 1441 CB VAL A 90 -9.617 1.492 5.285 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -10.266 0.139 5.534 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -10.510 2.624 5.774 1.00 0.00 C ATOM 0 H VAL A 90 -7.305 3.287 6.696 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.329 1.364 7.013 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.485 1.604 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.244 0.111 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.636 -0.648 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.384 -0.016 6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.485 2.552 5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.632 2.550 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.053 3.582 5.525 1.00 0.00 H new ATOM 1453 N ASN A 91 -6.163 0.936 4.832 1.00 0.00 N ATOM 1454 CA ASN A 91 -5.198 0.024 4.212 1.00 0.00 C ATOM 1455 C ASN A 91 -5.885 -1.021 3.333 1.00 0.00 C ATOM 1456 O ASN A 91 -6.245 -2.100 3.802 1.00 0.00 O ATOM 1457 CB ASN A 91 -4.349 -0.672 5.283 1.00 0.00 C ATOM 1458 CG ASN A 91 -5.146 -1.049 6.518 1.00 0.00 C ATOM 1459 OD1 ASN A 91 -5.066 -0.384 7.550 1.00 0.00 O ATOM 1460 ND2 ASN A 91 -5.922 -2.122 6.418 1.00 0.00 N ATOM 0 H ASN A 91 -5.864 1.911 4.850 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.551 0.626 3.574 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.902 -1.570 4.857 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.529 -0.015 5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.481 -2.423 7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.959 -2.645 5.543 1.00 0.00 H new ATOM 1467 N LEU A 92 -6.053 -0.692 2.058 1.00 0.00 N ATOM 1468 CA LEU A 92 -6.686 -1.602 1.111 1.00 0.00 C ATOM 1469 C LEU A 92 -5.907 -1.660 -0.193 1.00 0.00 C ATOM 1470 O LEU A 92 -5.359 -0.658 -0.650 1.00 0.00 O ATOM 1471 CB LEU A 92 -8.131 -1.182 0.805 1.00 0.00 C ATOM 1472 CG LEU A 92 -8.480 0.284 1.092 1.00 0.00 C ATOM 1473 CD1 LEU A 92 -8.949 0.981 -0.176 1.00 0.00 C ATOM 1474 CD2 LEU A 92 -9.549 0.374 2.170 1.00 0.00 C ATOM 0 H LEU A 92 -5.760 0.198 1.656 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.692 -2.587 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.332 -1.383 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.803 -1.815 1.385 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.581 0.787 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.192 2.020 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.157 0.947 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.835 0.477 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.785 1.421 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.447 -0.145 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -9.182 -0.089 3.086 1.00 0.00 H new ATOM 1486 N TRP A 93 -5.886 -2.838 -0.799 1.00 0.00 N ATOM 1487 CA TRP A 93 -5.206 -3.025 -2.067 1.00 0.00 C ATOM 1488 C TRP A 93 -6.154 -2.664 -3.201 1.00 0.00 C ATOM 1489 O TRP A 93 -7.269 -2.208 -2.957 1.00 0.00 O ATOM 1490 CB TRP A 93 -4.711 -4.466 -2.194 1.00 0.00 C ATOM 1491 CG TRP A 93 -3.238 -4.580 -2.446 1.00 0.00 C ATOM 1492 CD1 TRP A 93 -2.611 -5.565 -3.150 1.00 0.00 C ATOM 1493 CD2 TRP A 93 -2.206 -3.686 -2.004 1.00 0.00 C ATOM 1494 NE1 TRP A 93 -1.260 -5.338 -3.179 1.00 0.00 N ATOM 1495 CE2 TRP A 93 -0.986 -4.195 -2.485 1.00 0.00 C ATOM 1496 CE3 TRP A 93 -2.188 -2.506 -1.251 1.00 0.00 C ATOM 1497 CZ2 TRP A 93 0.229 -3.571 -2.244 1.00 0.00 C ATOM 1498 CZ3 TRP A 93 -0.978 -1.888 -1.013 1.00 0.00 C ATOM 1499 CH2 TRP A 93 0.217 -2.418 -1.508 1.00 0.00 C ATOM 0 H TRP A 93 -6.333 -3.678 -0.431 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.335 -2.371 -2.119 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.957 -5.006 -1.280 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -5.248 -4.954 -3.007 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -3.107 -6.403 -3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -0.570 -5.928 -3.644 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.105 -2.087 -0.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.153 -3.981 -2.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.953 -0.977 -0.433 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.147 -1.908 -1.306 1.00 0.00 H new ATOM 1510 N GLY A 94 -5.714 -2.846 -4.436 1.00 0.00 N ATOM 1511 CA GLY A 94 -6.558 -2.507 -5.564 1.00 0.00 C ATOM 1512 C GLY A 94 -7.266 -3.708 -6.158 1.00 0.00 C ATOM 1513 O GLY A 94 -6.760 -4.828 -6.101 1.00 0.00 O ATOM 0 H GLY A 94 -4.796 -3.219 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.301 -1.775 -5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.951 -2.032 -6.335 1.00 0.00 H new ATOM 1517 N ARG A 95 -8.445 -3.474 -6.728 1.00 0.00 N ATOM 1518 CA ARG A 95 -9.239 -4.543 -7.326 1.00 0.00 C ATOM 1519 C ARG A 95 -8.402 -5.410 -8.260 1.00 0.00 C ATOM 1520 O ARG A 95 -8.708 -6.584 -8.469 1.00 0.00 O ATOM 1521 CB ARG A 95 -10.425 -3.952 -8.089 1.00 0.00 C ATOM 1522 CG ARG A 95 -11.334 -5.001 -8.711 1.00 0.00 C ATOM 1523 CD ARG A 95 -12.750 -4.478 -8.887 1.00 0.00 C ATOM 1524 NE ARG A 95 -13.314 -4.000 -7.627 1.00 0.00 N ATOM 1525 CZ ARG A 95 -14.615 -3.808 -7.422 1.00 0.00 C ATOM 1526 NH1 ARG A 95 -15.489 -4.056 -8.388 1.00 0.00 N ATOM 1527 NH2 ARG A 95 -15.043 -3.370 -6.245 1.00 0.00 N ATOM 0 H ARG A 95 -8.873 -2.550 -6.788 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.604 -5.177 -6.518 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.011 -3.333 -7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.050 -3.296 -8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.934 -5.303 -9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.349 -5.890 -8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.750 -3.667 -9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.382 -5.269 -9.291 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.673 -3.802 -6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.165 -4.396 -9.294 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -16.485 -3.907 -8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.375 -3.181 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.040 -3.223 -6.087 1.00 0.00 H new ATOM 1541 N ASP A 96 -7.343 -4.835 -8.816 1.00 0.00 N ATOM 1542 CA ASP A 96 -6.469 -5.572 -9.716 1.00 0.00 C ATOM 1543 C ASP A 96 -5.634 -6.586 -8.939 1.00 0.00 C ATOM 1544 O ASP A 96 -5.575 -7.764 -9.296 1.00 0.00 O ATOM 1545 CB ASP A 96 -5.559 -4.611 -10.483 1.00 0.00 C ATOM 1546 CG ASP A 96 -5.078 -5.195 -11.797 1.00 0.00 C ATOM 1547 OD1 ASP A 96 -5.932 -5.620 -12.605 1.00 0.00 O ATOM 1548 OD2 ASP A 96 -3.850 -5.227 -12.018 1.00 0.00 O ATOM 0 H ASP A 96 -7.070 -3.865 -8.660 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.089 -6.110 -10.433 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.096 -3.683 -10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.698 -4.358 -9.864 1.00 0.00 H new ATOM 1553 N LEU A 97 -4.992 -6.122 -7.867 1.00 0.00 N ATOM 1554 CA LEU A 97 -4.165 -6.995 -7.043 1.00 0.00 C ATOM 1555 C LEU A 97 -5.023 -8.019 -6.305 1.00 0.00 C ATOM 1556 O LEU A 97 -4.650 -9.187 -6.197 1.00 0.00 O ATOM 1557 CB LEU A 97 -3.329 -6.180 -6.045 1.00 0.00 C ATOM 1558 CG LEU A 97 -2.584 -4.966 -6.619 1.00 0.00 C ATOM 1559 CD1 LEU A 97 -1.231 -4.812 -5.948 1.00 0.00 C ATOM 1560 CD2 LEU A 97 -2.411 -5.084 -8.125 1.00 0.00 C ATOM 0 H LEU A 97 -5.030 -5.152 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.483 -7.529 -7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.988 -5.833 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.598 -6.846 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.185 -4.079 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.714 -3.948 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.370 -4.669 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.635 -5.708 -6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.880 -4.209 -8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.839 -5.982 -8.356 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.390 -5.145 -8.600 1.00 0.00 H new ATOM 1572 N LEU A 98 -6.178 -7.582 -5.808 1.00 0.00 N ATOM 1573 CA LEU A 98 -7.079 -8.481 -5.094 1.00 0.00 C ATOM 1574 C LEU A 98 -7.620 -9.550 -6.034 1.00 0.00 C ATOM 1575 O LEU A 98 -7.477 -10.745 -5.776 1.00 0.00 O ATOM 1576 CB LEU A 98 -8.249 -7.709 -4.468 1.00 0.00 C ATOM 1577 CG LEU A 98 -7.912 -6.883 -3.223 1.00 0.00 C ATOM 1578 CD1 LEU A 98 -6.889 -7.590 -2.350 1.00 0.00 C ATOM 1579 CD2 LEU A 98 -7.407 -5.514 -3.628 1.00 0.00 C ATOM 0 H LEU A 98 -6.509 -6.620 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.508 -8.957 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.664 -7.041 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.032 -8.421 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.824 -6.766 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.672 -6.977 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.288 -8.552 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.973 -7.748 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.170 -4.935 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.510 -5.623 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.176 -4.998 -4.202 1.00 0.00 H new ATOM 1591 N SER A 99 -8.239 -9.109 -7.129 1.00 0.00 N ATOM 1592 CA SER A 99 -8.805 -10.024 -8.119 1.00 0.00 C ATOM 1593 C SER A 99 -7.847 -11.177 -8.396 1.00 0.00 C ATOM 1594 O SER A 99 -8.237 -12.345 -8.364 1.00 0.00 O ATOM 1595 CB SER A 99 -9.108 -9.278 -9.418 1.00 0.00 C ATOM 1596 OG SER A 99 -10.303 -8.523 -9.309 1.00 0.00 O ATOM 0 H SER A 99 -8.361 -8.121 -7.353 1.00 0.00 H new ATOM 0 HA SER A 99 -9.733 -10.430 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.277 -8.616 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.199 -9.991 -10.237 1.00 0.00 H new ATOM 0 HG SER A 99 -10.093 -7.624 -8.981 1.00 0.00 H new ATOM 1602 N GLN A 100 -6.589 -10.834 -8.652 1.00 0.00 N ATOM 1603 CA GLN A 100 -5.566 -11.832 -8.926 1.00 0.00 C ATOM 1604 C GLN A 100 -5.264 -12.657 -7.681 1.00 0.00 C ATOM 1605 O GLN A 100 -5.383 -13.883 -7.696 1.00 0.00 O ATOM 1606 CB GLN A 100 -4.290 -11.149 -9.414 1.00 0.00 C ATOM 1607 CG GLN A 100 -4.318 -10.783 -10.888 1.00 0.00 C ATOM 1608 CD GLN A 100 -3.804 -9.381 -11.152 1.00 0.00 C ATOM 1609 OE1 GLN A 100 -4.574 -8.473 -11.465 1.00 0.00 O ATOM 1610 NE2 GLN A 100 -2.494 -9.198 -11.030 1.00 0.00 N ATOM 0 H GLN A 100 -6.255 -9.871 -8.675 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.940 -12.501 -9.701 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.125 -10.245 -8.827 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.442 -11.808 -9.229 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.715 -11.498 -11.447 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.339 -10.867 -11.260 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.892 -9.979 -10.768 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.090 -8.277 -11.198 1.00 0.00 H new ATOM 1619 N MET A 101 -4.870 -11.978 -6.604 1.00 0.00 N ATOM 1620 CA MET A 101 -4.545 -12.644 -5.345 1.00 0.00 C ATOM 1621 C MET A 101 -5.532 -13.763 -5.026 1.00 0.00 C ATOM 1622 O MET A 101 -5.148 -14.927 -4.910 1.00 0.00 O ATOM 1623 CB MET A 101 -4.519 -11.629 -4.200 1.00 0.00 C ATOM 1624 CG MET A 101 -3.160 -11.511 -3.535 1.00 0.00 C ATOM 1625 SD MET A 101 -3.146 -10.319 -2.184 1.00 0.00 S ATOM 1626 CE MET A 101 -2.956 -8.785 -3.087 1.00 0.00 C ATOM 0 H MET A 101 -4.768 -10.963 -6.579 1.00 0.00 H new ATOM 0 HA MET A 101 -3.557 -13.091 -5.456 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.815 -10.652 -4.583 1.00 0.00 H new ATOM 0 HB3 MET A 101 -5.258 -11.916 -3.452 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.860 -12.488 -3.155 1.00 0.00 H new ATOM 0 HG3 MET A 101 -2.420 -11.218 -4.280 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.944 -8.404 -2.948 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.135 -8.963 -4.147 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.673 -8.053 -2.716 1.00 0.00 H new ATOM 1636 N LYS A 102 -6.807 -13.410 -4.887 1.00 0.00 N ATOM 1637 CA LYS A 102 -7.837 -14.397 -4.583 1.00 0.00 C ATOM 1638 C LYS A 102 -9.210 -13.744 -4.450 1.00 0.00 C ATOM 1639 O LYS A 102 -9.929 -13.988 -3.481 1.00 0.00 O ATOM 1640 CB LYS A 102 -7.488 -15.148 -3.294 1.00 0.00 C ATOM 1641 CG LYS A 102 -7.724 -16.648 -3.384 1.00 0.00 C ATOM 1642 CD LYS A 102 -6.638 -17.430 -2.659 1.00 0.00 C ATOM 1643 CE LYS A 102 -5.790 -18.241 -3.629 1.00 0.00 C ATOM 1644 NZ LYS A 102 -4.454 -17.623 -3.853 1.00 0.00 N ATOM 0 H LYS A 102 -7.150 -12.454 -4.979 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.876 -15.104 -5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.441 -14.967 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.082 -14.743 -2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.696 -16.890 -2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.754 -16.950 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.000 -16.741 -2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.095 -18.097 -1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.662 -19.251 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.313 -18.329 -4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.915 -18.197 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.575 -16.662 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.937 -17.577 -2.952 1.00 0.00 H new ATOM 1658 N ILE A 103 -9.582 -12.924 -5.430 1.00 0.00 N ATOM 1659 CA ILE A 103 -10.882 -12.259 -5.403 1.00 0.00 C ATOM 1660 C ILE A 103 -11.715 -12.655 -6.617 1.00 0.00 C ATOM 1661 O ILE A 103 -12.924 -12.861 -6.510 1.00 0.00 O ATOM 1662 CB ILE A 103 -10.734 -10.720 -5.329 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -10.641 -10.274 -3.869 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -11.898 -10.016 -6.021 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -9.341 -10.666 -3.199 1.00 0.00 C ATOM 0 H ILE A 103 -9.008 -12.706 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 103 -11.399 -12.587 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.818 -10.443 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -10.753 -9.191 -3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.472 -10.706 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.764 -8.937 -5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.930 -10.311 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.833 -10.297 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -9.344 -10.318 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -9.236 -11.751 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.506 -10.212 -3.732 1.00 0.00 H new ATOM 1677 N MET A 104 -11.066 -12.769 -7.770 1.00 0.00 N ATOM 1678 CA MET A 104 -11.756 -13.154 -8.995 1.00 0.00 C ATOM 1679 C MET A 104 -12.415 -14.518 -8.826 1.00 0.00 C ATOM 1680 O MET A 104 -11.796 -15.453 -8.318 1.00 0.00 O ATOM 1681 CB MET A 104 -10.780 -13.185 -10.172 1.00 0.00 C ATOM 1682 CG MET A 104 -11.440 -12.921 -11.516 1.00 0.00 C ATOM 1683 SD MET A 104 -10.670 -11.561 -12.418 1.00 0.00 S ATOM 1684 CE MET A 104 -9.047 -12.246 -12.745 1.00 0.00 C ATOM 0 H MET A 104 -10.066 -12.601 -7.882 1.00 0.00 H new ATOM 0 HA MET A 104 -12.529 -12.413 -9.202 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.001 -12.441 -10.007 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.290 -14.158 -10.202 1.00 0.00 H new ATOM 0 HG2 MET A 104 -11.393 -13.826 -12.122 1.00 0.00 H new ATOM 0 HG3 MET A 104 -12.495 -12.696 -11.360 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.495 -11.575 -13.403 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.505 -12.362 -11.806 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.153 -13.219 -13.225 1.00 0.00 H new ATOM 1694 N MET A 105 -13.671 -14.623 -9.243 1.00 0.00 N ATOM 1695 CA MET A 105 -14.411 -15.874 -9.128 1.00 0.00 C ATOM 1696 C MET A 105 -13.796 -16.956 -10.010 1.00 0.00 C ATOM 1697 O MET A 105 -14.353 -17.322 -11.045 1.00 0.00 O ATOM 1698 CB MET A 105 -15.879 -15.658 -9.505 1.00 0.00 C ATOM 1699 CG MET A 105 -16.851 -16.428 -8.625 1.00 0.00 C ATOM 1700 SD MET A 105 -18.319 -15.469 -8.205 1.00 0.00 S ATOM 1701 CE MET A 105 -17.806 -14.723 -6.660 1.00 0.00 C ATOM 0 H MET A 105 -14.198 -13.858 -9.664 1.00 0.00 H new ATOM 0 HA MET A 105 -14.356 -16.207 -8.091 1.00 0.00 H new ATOM 0 HB2 MET A 105 -16.109 -14.594 -9.443 1.00 0.00 H new ATOM 0 HB3 MET A 105 -16.027 -15.956 -10.543 1.00 0.00 H new ATOM 0 HG2 MET A 105 -17.153 -17.341 -9.137 1.00 0.00 H new ATOM 0 HG3 MET A 105 -16.344 -16.729 -7.708 1.00 0.00 H new ATOM 0 HE1 MET A 105 -18.610 -14.097 -6.273 1.00 0.00 H new ATOM 0 HE2 MET A 105 -17.575 -15.505 -5.937 1.00 0.00 H new ATOM 0 HE3 MET A 105 -16.920 -14.111 -6.828 1.00 0.00 H new ATOM 1711 N ALA A 106 -12.640 -17.466 -9.593 1.00 0.00 N ATOM 1712 CA ALA A 106 -11.949 -18.508 -10.344 1.00 0.00 C ATOM 1713 C ALA A 106 -12.687 -19.838 -10.239 1.00 0.00 C ATOM 1714 O ALA A 106 -12.482 -20.601 -9.295 1.00 0.00 O ATOM 1715 CB ALA A 106 -10.519 -18.656 -9.847 1.00 0.00 C ATOM 0 H ALA A 106 -12.163 -17.174 -8.740 1.00 0.00 H new ATOM 0 HA ALA A 106 -11.929 -18.214 -11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -10.015 -19.437 -10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.989 -17.713 -9.977 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.527 -18.925 -8.791 1.00 0.00 H new ATOM 1721 N SER A 107 -13.548 -20.110 -11.214 1.00 0.00 N ATOM 1722 CA SER A 107 -14.319 -21.349 -11.231 1.00 0.00 C ATOM 1723 C SER A 107 -14.506 -21.852 -12.659 1.00 0.00 C ATOM 1724 O SER A 107 -14.448 -23.082 -12.864 1.00 0.00 O ATOM 1725 CB SER A 107 -15.681 -21.136 -10.571 1.00 0.00 C ATOM 1726 OG SER A 107 -16.266 -19.913 -10.984 1.00 0.00 O ATOM 1727 OXT SER A 107 -14.709 -21.011 -13.560 1.00 0.00 O ATOM 0 H SER A 107 -13.730 -19.490 -12.003 1.00 0.00 H new ATOM 0 HA SER A 107 -13.765 -22.101 -10.669 1.00 0.00 H new ATOM 0 HB2 SER A 107 -16.344 -21.963 -10.825 1.00 0.00 H new ATOM 0 HB3 SER A 107 -15.567 -21.140 -9.487 1.00 0.00 H new ATOM 0 HG SER A 107 -17.137 -19.803 -10.548 1.00 0.00 H new TER 1733 SER A 107