USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 941 hydrogens (8 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 NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD Set 1.1: A 71 ASN : amide:sc= 0.301 K(o=0.59,f=-4.1!) USER MOD Set 1.2: A 72 SER OG : rot 73:sc= 0.288 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.774 K(o=-0.77,f=-1.9!) USER MOD Single : A 8 SER OG : rot 9:sc= 0.977! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0842 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.07 X(o=-0.07,f=-0.00052) USER MOD Single : A 24 MET CE :methyl 160:sc= -0.441 (180deg=-1.74!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.062) USER MOD Single : A 43 ASN : amide:sc= -0.0674 K(o=-0.067,f=-1.9!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.00528 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.118 USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.25) USER MOD Single : A 56 LYS NZ :NH3+ -137:sc= -0.187 (180deg=-1.22) USER MOD Single : A 57 HIS : no HE2:sc= -15.6! C(o=-16!,f=-20!) USER MOD Single : A 58 CYS SG : rot 94:sc= -12.8! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 65 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.5!) USER MOD Single : A 66 THR OG1 : rot 140:sc= -8.88! USER MOD Single : A 68 MET CE :methyl -126:sc= -0.0479 (180deg=-0.37) USER MOD Single : A 76 SER OG : rot -170:sc= -1.24 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= -3.49! USER MOD Single : A 86 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.00155) USER MOD Single : A 87 HIS : no HD1:sc= -0.072 X(o=-0.072,f=-0.24) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -168:sc= -1.8 (180deg=-2.36!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.1) USER MOD Single : A 103 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.82) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ASP N :NH3+ -121:sc= -0.318 (180deg=-1.52) USER MOD Single : B 2 ASN : amide:sc= -3.58! C(o=-3.6!,f=-11!) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.562 20.461 1.397 1.00 0.00 N ATOM 2 CA GLY A 1 -16.301 20.698 0.126 1.00 0.00 C ATOM 3 C GLY A 1 -17.282 19.550 -0.118 1.00 0.00 C ATOM 4 O GLY A 1 -18.483 19.730 -0.090 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.895 21.242 1.562 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.237 20.409 2.187 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.037 19.566 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.839 21.645 0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.600 20.774 -0.705 1.00 0.00 H new ATOM 10 N SER A 2 -16.780 18.369 -0.357 1.00 0.00 N ATOM 11 CA SER A 2 -17.685 17.210 -0.602 1.00 0.00 C ATOM 12 C SER A 2 -17.164 15.987 0.155 1.00 0.00 C ATOM 13 O SER A 2 -15.972 15.818 0.317 1.00 0.00 O ATOM 14 CB SER A 2 -17.724 16.903 -2.100 1.00 0.00 C ATOM 15 OG SER A 2 -16.557 17.429 -2.718 1.00 0.00 O ATOM 0 H SER A 2 -15.783 18.157 -0.393 1.00 0.00 H new ATOM 0 HA SER A 2 -18.689 17.452 -0.253 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.781 15.826 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.616 17.340 -2.549 1.00 0.00 H new ATOM 0 HG SER A 2 -16.578 17.232 -3.678 1.00 0.00 H new ATOM 21 N PRO A 3 -18.084 15.173 0.595 1.00 0.00 N ATOM 22 CA PRO A 3 -17.819 13.925 1.355 1.00 0.00 C ATOM 23 C PRO A 3 -17.403 12.804 0.398 1.00 0.00 C ATOM 24 O PRO A 3 -18.229 12.154 -0.208 1.00 0.00 O ATOM 25 CB PRO A 3 -19.137 13.575 2.041 1.00 0.00 C ATOM 26 CG PRO A 3 -20.237 14.261 1.223 1.00 0.00 C ATOM 27 CD PRO A 3 -19.550 15.363 0.406 1.00 0.00 C ATOM 0 HA PRO A 3 -17.011 14.052 2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -19.287 12.496 2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -19.144 13.924 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -20.736 13.547 0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -21.001 14.682 1.877 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.819 15.290 -0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.861 16.351 0.747 1.00 0.00 H new ATOM 35 N GLY A 4 -16.126 12.574 0.259 1.00 0.00 N ATOM 36 CA GLY A 4 -15.658 11.497 -0.657 1.00 0.00 C ATOM 37 C GLY A 4 -15.147 10.312 0.163 1.00 0.00 C ATOM 38 O GLY A 4 -15.373 10.226 1.355 1.00 0.00 O ATOM 0 H GLY A 4 -15.387 13.086 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.473 11.178 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.865 11.874 -1.303 1.00 0.00 H new ATOM 42 N ILE A 5 -14.460 9.396 -0.463 1.00 0.00 N ATOM 43 CA ILE A 5 -13.935 8.217 0.283 1.00 0.00 C ATOM 44 C ILE A 5 -12.413 8.323 0.395 1.00 0.00 C ATOM 45 O ILE A 5 -11.739 7.370 0.734 1.00 0.00 O ATOM 46 CB ILE A 5 -14.304 6.935 -0.465 1.00 0.00 C ATOM 47 CG1 ILE A 5 -15.738 7.046 -0.988 1.00 0.00 C ATOM 48 CG2 ILE A 5 -14.201 5.742 0.487 1.00 0.00 C ATOM 49 CD1 ILE A 5 -16.703 7.191 0.190 1.00 0.00 C ATOM 0 H ILE A 5 -14.239 9.413 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 5 -14.372 8.193 1.281 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.621 6.793 -1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.828 7.905 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -15.992 6.162 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -14.464 4.828 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -13.181 5.663 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.885 5.884 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -17.724 7.270 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -16.620 6.318 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -16.454 8.088 0.756 1.00 0.00 H new ATOM 61 N HIS A 6 -11.865 9.472 0.111 1.00 0.00 N ATOM 62 CA HIS A 6 -10.387 9.636 0.201 1.00 0.00 C ATOM 63 C HIS A 6 -10.055 10.736 1.212 1.00 0.00 C ATOM 64 O HIS A 6 -9.147 10.606 2.008 1.00 0.00 O ATOM 65 CB HIS A 6 -9.833 10.023 -1.173 1.00 0.00 C ATOM 66 CG HIS A 6 -10.202 8.968 -2.178 1.00 0.00 C ATOM 67 ND1 HIS A 6 -11.508 8.770 -2.597 1.00 0.00 N ATOM 68 CD2 HIS A 6 -9.447 8.046 -2.860 1.00 0.00 C ATOM 69 CE1 HIS A 6 -11.499 7.766 -3.491 1.00 0.00 C ATOM 70 NE2 HIS A 6 -10.268 7.287 -3.688 1.00 0.00 N ATOM 0 H HIS A 6 -12.377 10.305 -0.180 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.937 8.698 0.525 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.234 10.989 -1.480 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.749 10.130 -1.123 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.377 7.928 -2.768 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.381 7.392 -3.990 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.990 6.529 -4.311 1.00 0.00 H new ATOM 78 N GLU A 7 -10.782 11.819 1.183 1.00 0.00 N ATOM 79 CA GLU A 7 -10.505 12.926 2.141 1.00 0.00 C ATOM 80 C GLU A 7 -9.076 13.430 1.935 1.00 0.00 C ATOM 81 O GLU A 7 -8.533 14.136 2.762 1.00 0.00 O ATOM 82 CB GLU A 7 -10.665 12.413 3.574 1.00 0.00 C ATOM 83 CG GLU A 7 -12.068 12.750 4.084 1.00 0.00 C ATOM 84 CD GLU A 7 -13.093 11.846 3.397 1.00 0.00 C ATOM 85 OE1 GLU A 7 -12.692 10.818 2.875 1.00 0.00 O ATOM 86 OE2 GLU A 7 -14.262 12.196 3.405 1.00 0.00 O ATOM 0 H GLU A 7 -11.555 11.985 0.538 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.207 13.742 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.504 11.335 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.913 12.867 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.115 12.615 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.298 13.796 3.883 1.00 0.00 H new ATOM 93 N SER A 8 -8.464 13.074 0.837 1.00 0.00 N ATOM 94 CA SER A 8 -7.069 13.528 0.569 1.00 0.00 C ATOM 95 C SER A 8 -6.202 13.287 1.808 1.00 0.00 C ATOM 96 O SER A 8 -5.886 14.202 2.543 1.00 0.00 O ATOM 97 CB SER A 8 -7.073 15.019 0.230 1.00 0.00 C ATOM 98 OG SER A 8 -7.360 15.770 1.403 1.00 0.00 O ATOM 0 H SER A 8 -8.873 12.485 0.111 1.00 0.00 H new ATOM 0 HA SER A 8 -6.662 12.966 -0.271 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.105 15.313 -0.176 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.817 15.226 -0.539 1.00 0.00 H new ATOM 0 HG SER A 8 -7.346 15.177 2.183 1.00 0.00 H new ATOM 104 N LYS A 9 -5.813 12.063 2.044 1.00 0.00 N ATOM 105 CA LYS A 9 -4.966 11.769 3.234 1.00 0.00 C ATOM 106 C LYS A 9 -3.495 11.745 2.821 1.00 0.00 C ATOM 107 O LYS A 9 -2.635 11.334 3.575 1.00 0.00 O ATOM 108 CB LYS A 9 -5.356 10.409 3.817 1.00 0.00 C ATOM 109 CG LYS A 9 -6.507 10.587 4.808 1.00 0.00 C ATOM 110 CD LYS A 9 -6.058 11.497 5.954 1.00 0.00 C ATOM 111 CE LYS A 9 -6.908 12.768 5.960 1.00 0.00 C ATOM 112 NZ LYS A 9 -8.144 12.535 6.760 1.00 0.00 N ATOM 0 H LYS A 9 -6.045 11.256 1.465 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.118 12.543 3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.653 9.731 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.499 9.957 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.371 11.019 4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.817 9.618 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.157 10.976 6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.005 11.752 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.339 13.597 6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.170 13.048 4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.723 13.399 6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.689 11.756 6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.884 12.287 7.736 1.00 0.00 H new ATOM 126 N GLU A 10 -3.203 12.190 1.631 1.00 0.00 N ATOM 127 CA GLU A 10 -1.789 12.203 1.157 1.00 0.00 C ATOM 128 C GLU A 10 -1.134 10.848 1.439 1.00 0.00 C ATOM 129 O GLU A 10 -0.381 10.698 2.381 1.00 0.00 O ATOM 130 CB GLU A 10 -1.018 13.305 1.888 1.00 0.00 C ATOM 131 CG GLU A 10 -1.203 14.632 1.150 1.00 0.00 C ATOM 132 CD GLU A 10 -1.363 15.764 2.166 1.00 0.00 C ATOM 133 OE1 GLU A 10 -1.793 15.483 3.273 1.00 0.00 O ATOM 134 OE2 GLU A 10 -1.055 16.892 1.821 1.00 0.00 O ATOM 0 H GLU A 10 -3.885 12.547 0.962 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.771 12.393 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.375 13.394 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.040 13.050 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.344 14.825 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.080 14.582 0.505 1.00 0.00 H new ATOM 141 N TRP A 11 -1.408 9.862 0.630 1.00 0.00 N ATOM 142 CA TRP A 11 -0.793 8.523 0.856 1.00 0.00 C ATOM 143 C TRP A 11 -0.945 7.666 -0.404 1.00 0.00 C ATOM 144 O TRP A 11 -0.074 6.889 -0.743 1.00 0.00 O ATOM 145 CB TRP A 11 -1.475 7.831 2.040 1.00 0.00 C ATOM 146 CG TRP A 11 -2.954 7.759 1.817 1.00 0.00 C ATOM 147 CD1 TRP A 11 -3.755 8.817 1.551 1.00 0.00 C ATOM 148 CD2 TRP A 11 -3.821 6.588 1.846 1.00 0.00 C ATOM 149 NE1 TRP A 11 -5.057 8.369 1.414 1.00 0.00 N ATOM 150 CE2 TRP A 11 -5.149 7.001 1.587 1.00 0.00 C ATOM 151 CE3 TRP A 11 -3.585 5.218 2.069 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -6.206 6.090 1.552 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -4.647 4.299 2.034 1.00 0.00 C ATOM 154 CH2 TRP A 11 -5.954 4.734 1.776 1.00 0.00 C ATOM 0 H TRP A 11 -2.030 9.925 -0.176 1.00 0.00 H new ATOM 0 HA TRP A 11 0.267 8.648 1.079 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.070 6.827 2.166 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.265 8.377 2.960 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.431 9.843 1.460 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.852 8.975 1.210 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.582 4.872 2.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.211 6.431 1.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.455 3.250 2.207 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.766 4.022 1.750 1.00 0.00 H new ATOM 165 N TYR A 12 -2.039 7.800 -1.103 1.00 0.00 N ATOM 166 CA TYR A 12 -2.231 6.992 -2.341 1.00 0.00 C ATOM 167 C TYR A 12 -1.670 7.761 -3.541 1.00 0.00 C ATOM 168 O TYR A 12 -1.716 8.973 -3.589 1.00 0.00 O ATOM 169 CB TYR A 12 -3.725 6.724 -2.551 1.00 0.00 C ATOM 170 CG TYR A 12 -4.412 7.994 -2.993 1.00 0.00 C ATOM 171 CD1 TYR A 12 -4.769 8.963 -2.048 1.00 0.00 C ATOM 172 CD2 TYR A 12 -4.695 8.201 -4.349 1.00 0.00 C ATOM 173 CE1 TYR A 12 -5.407 10.139 -2.457 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.333 9.378 -4.758 1.00 0.00 C ATOM 175 CZ TYR A 12 -5.689 10.347 -3.813 1.00 0.00 C ATOM 176 OH TYR A 12 -6.317 11.507 -4.216 1.00 0.00 O ATOM 0 H TYR A 12 -2.806 8.432 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.706 6.042 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.863 5.945 -3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.173 6.360 -1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.552 8.803 -1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.421 7.453 -5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.682 10.886 -1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.551 9.538 -5.804 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.437 11.493 -5.189 1.00 0.00 H new ATOM 186 N HIS A 13 -1.138 7.064 -4.509 1.00 0.00 N ATOM 187 CA HIS A 13 -0.574 7.758 -5.702 1.00 0.00 C ATOM 188 C HIS A 13 -1.591 7.726 -6.844 1.00 0.00 C ATOM 189 O HIS A 13 -2.487 6.907 -6.868 1.00 0.00 O ATOM 190 CB HIS A 13 0.708 7.049 -6.149 1.00 0.00 C ATOM 191 CG HIS A 13 1.663 6.953 -4.993 1.00 0.00 C ATOM 192 ND1 HIS A 13 2.704 6.038 -4.967 1.00 0.00 N ATOM 193 CD2 HIS A 13 1.749 7.651 -3.815 1.00 0.00 C ATOM 194 CE1 HIS A 13 3.366 6.209 -3.809 1.00 0.00 C ATOM 195 NE2 HIS A 13 2.826 7.180 -3.068 1.00 0.00 N ATOM 0 H HIS A 13 -1.070 6.046 -4.525 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.349 8.792 -5.442 1.00 0.00 H new ATOM 0 HB2 HIS A 13 0.473 6.052 -6.522 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.170 7.596 -6.971 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.083 8.445 -3.513 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.229 5.631 -3.514 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.136 7.506 -2.153 1.00 0.00 H new ATOM 203 N ALA A 14 -1.454 8.609 -7.794 1.00 0.00 N ATOM 204 CA ALA A 14 -2.406 8.629 -8.939 1.00 0.00 C ATOM 205 C ALA A 14 -2.051 7.493 -9.905 1.00 0.00 C ATOM 206 O ALA A 14 -1.688 6.410 -9.491 1.00 0.00 O ATOM 207 CB ALA A 14 -2.304 9.975 -9.658 1.00 0.00 C ATOM 0 H ALA A 14 -0.722 9.319 -7.827 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.426 8.492 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.000 9.993 -10.497 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.552 10.778 -8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.288 10.115 -10.026 1.00 0.00 H new ATOM 213 N SER A 15 -2.146 7.725 -11.187 1.00 0.00 N ATOM 214 CA SER A 15 -1.806 6.651 -12.162 1.00 0.00 C ATOM 215 C SER A 15 -0.319 6.738 -12.513 1.00 0.00 C ATOM 216 O SER A 15 0.099 7.587 -13.275 1.00 0.00 O ATOM 217 CB SER A 15 -2.642 6.831 -13.429 1.00 0.00 C ATOM 218 OG SER A 15 -3.036 8.191 -13.543 1.00 0.00 O ATOM 0 H SER A 15 -2.443 8.609 -11.599 1.00 0.00 H new ATOM 0 HA SER A 15 -2.020 5.677 -11.723 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.065 6.533 -14.304 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.521 6.188 -13.393 1.00 0.00 H new ATOM 0 HG SER A 15 -3.571 8.310 -14.356 1.00 0.00 H new ATOM 224 N LEU A 16 0.483 5.868 -11.962 1.00 0.00 N ATOM 225 CA LEU A 16 1.943 5.904 -12.263 1.00 0.00 C ATOM 226 C LEU A 16 2.214 5.141 -13.563 1.00 0.00 C ATOM 227 O LEU A 16 1.309 4.819 -14.306 1.00 0.00 O ATOM 228 CB LEU A 16 2.721 5.251 -11.117 1.00 0.00 C ATOM 229 CG LEU A 16 2.529 6.063 -9.833 1.00 0.00 C ATOM 230 CD1 LEU A 16 2.818 7.539 -10.110 1.00 0.00 C ATOM 231 CD2 LEU A 16 1.088 5.911 -9.345 1.00 0.00 C ATOM 0 H LEU A 16 0.191 5.134 -11.317 1.00 0.00 H new ATOM 0 HA LEU A 16 2.264 6.940 -12.374 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.376 4.228 -10.967 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.780 5.196 -11.369 1.00 0.00 H new ATOM 0 HG LEU A 16 3.214 5.697 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.681 8.115 -9.195 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.845 7.650 -10.458 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.134 7.906 -10.876 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.951 6.489 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.404 6.276 -10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.881 4.860 -9.144 1.00 0.00 H new ATOM 243 N THR A 17 3.456 4.849 -13.843 1.00 0.00 N ATOM 244 CA THR A 17 3.785 4.108 -15.093 1.00 0.00 C ATOM 245 C THR A 17 4.408 2.757 -14.737 1.00 0.00 C ATOM 246 O THR A 17 5.612 2.628 -14.722 1.00 0.00 O ATOM 247 CB THR A 17 4.778 4.928 -15.924 1.00 0.00 C ATOM 248 OG1 THR A 17 5.085 6.133 -15.237 1.00 0.00 O ATOM 249 CG2 THR A 17 4.160 5.256 -17.283 1.00 0.00 C ATOM 0 H THR A 17 4.256 5.092 -13.259 1.00 0.00 H new ATOM 0 HA THR A 17 2.875 3.945 -15.671 1.00 0.00 H new ATOM 0 HB THR A 17 5.691 4.352 -16.073 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.721 6.658 -15.766 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.867 5.839 -17.873 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.925 4.331 -17.809 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.246 5.833 -17.138 1.00 0.00 H new ATOM 257 N ARG A 18 3.564 1.776 -14.455 1.00 0.00 N ATOM 258 CA ARG A 18 3.997 0.379 -14.073 1.00 0.00 C ATOM 259 C ARG A 18 5.514 0.201 -14.110 1.00 0.00 C ATOM 260 O ARG A 18 6.052 -0.481 -14.958 1.00 0.00 O ATOM 261 CB ARG A 18 3.358 -0.618 -15.041 1.00 0.00 C ATOM 262 CG ARG A 18 3.408 -0.053 -16.463 1.00 0.00 C ATOM 263 CD ARG A 18 2.099 0.677 -16.769 1.00 0.00 C ATOM 264 NE ARG A 18 1.576 0.234 -18.094 1.00 0.00 N ATOM 265 CZ ARG A 18 2.401 -0.018 -19.075 1.00 0.00 C ATOM 266 NH1 ARG A 18 3.008 0.962 -19.684 1.00 0.00 N ATOM 267 NH2 ARG A 18 2.616 -1.251 -19.445 1.00 0.00 N ATOM 0 H ARG A 18 2.551 1.895 -14.476 1.00 0.00 H new ATOM 0 HA ARG A 18 3.672 0.203 -13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.885 -1.571 -14.998 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.325 -0.811 -14.751 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.250 0.631 -16.564 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.564 -0.859 -17.180 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.365 0.471 -15.990 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.264 1.754 -16.774 1.00 0.00 H new ATOM 0 HE ARG A 18 0.571 0.128 -18.234 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.839 1.925 -19.394 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.652 0.765 -20.450 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.140 -2.017 -18.968 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.260 -1.449 -20.211 1.00 0.00 H new ATOM 281 N ALA A 19 6.193 0.819 -13.181 1.00 0.00 N ATOM 282 CA ALA A 19 7.682 0.718 -13.120 1.00 0.00 C ATOM 283 C ALA A 19 8.216 1.852 -12.246 1.00 0.00 C ATOM 284 O ALA A 19 9.073 1.655 -11.406 1.00 0.00 O ATOM 285 CB ALA A 19 8.275 0.848 -14.525 1.00 0.00 C ATOM 0 H ALA A 19 5.775 1.397 -12.452 1.00 0.00 H new ATOM 0 HA ALA A 19 7.963 -0.249 -12.702 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.361 0.773 -14.470 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.888 0.050 -15.159 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.999 1.814 -14.949 1.00 0.00 H new ATOM 291 N GLN A 20 7.713 3.040 -12.438 1.00 0.00 N ATOM 292 CA GLN A 20 8.182 4.195 -11.624 1.00 0.00 C ATOM 293 C GLN A 20 7.849 3.948 -10.152 1.00 0.00 C ATOM 294 O GLN A 20 8.415 4.555 -9.269 1.00 0.00 O ATOM 295 CB GLN A 20 7.485 5.472 -12.099 1.00 0.00 C ATOM 296 CG GLN A 20 8.525 6.575 -12.310 1.00 0.00 C ATOM 297 CD GLN A 20 7.816 7.896 -12.613 1.00 0.00 C ATOM 298 OE1 GLN A 20 8.092 8.532 -13.610 1.00 0.00 O ATOM 299 NE2 GLN A 20 6.906 8.337 -11.788 1.00 0.00 N ATOM 0 H GLN A 20 6.994 3.261 -13.127 1.00 0.00 H new ATOM 0 HA GLN A 20 9.260 4.307 -11.739 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.948 5.281 -13.028 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.746 5.790 -11.364 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.145 6.679 -11.420 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.189 6.310 -13.132 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.675 7.802 -10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.426 9.216 -11.981 1.00 0.00 H new ATOM 308 N ALA A 21 6.929 3.063 -9.883 1.00 0.00 N ATOM 309 CA ALA A 21 6.556 2.782 -8.466 1.00 0.00 C ATOM 310 C ALA A 21 7.760 2.196 -7.722 1.00 0.00 C ATOM 311 O ALA A 21 7.972 2.468 -6.556 1.00 0.00 O ATOM 312 CB ALA A 21 5.401 1.782 -8.432 1.00 0.00 C ATOM 0 H ALA A 21 6.419 2.522 -10.582 1.00 0.00 H new ATOM 0 HA ALA A 21 6.250 3.710 -7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.128 1.576 -7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.542 2.200 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.708 0.855 -8.917 1.00 0.00 H new ATOM 318 N GLU A 22 8.547 1.390 -8.381 1.00 0.00 N ATOM 319 CA GLU A 22 9.732 0.785 -7.706 1.00 0.00 C ATOM 320 C GLU A 22 10.911 1.763 -7.752 1.00 0.00 C ATOM 321 O GLU A 22 11.805 1.712 -6.932 1.00 0.00 O ATOM 322 CB GLU A 22 10.120 -0.513 -8.420 1.00 0.00 C ATOM 323 CG GLU A 22 8.867 -1.352 -8.687 1.00 0.00 C ATOM 324 CD GLU A 22 8.354 -1.068 -10.099 1.00 0.00 C ATOM 325 OE1 GLU A 22 9.169 -1.015 -11.005 1.00 0.00 O ATOM 326 OE2 GLU A 22 7.154 -0.910 -10.251 1.00 0.00 O ATOM 0 H GLU A 22 8.421 1.124 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 22 9.482 0.570 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.624 -0.286 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.824 -1.078 -7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.096 -2.412 -8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.095 -1.116 -7.954 1.00 0.00 H new ATOM 333 N HIS A 23 10.922 2.650 -8.711 1.00 0.00 N ATOM 334 CA HIS A 23 12.047 3.624 -8.814 1.00 0.00 C ATOM 335 C HIS A 23 11.996 4.609 -7.643 1.00 0.00 C ATOM 336 O HIS A 23 12.994 4.881 -7.005 1.00 0.00 O ATOM 337 CB HIS A 23 11.929 4.394 -10.131 1.00 0.00 C ATOM 338 CG HIS A 23 13.179 4.193 -10.943 1.00 0.00 C ATOM 339 ND1 HIS A 23 13.141 3.783 -12.268 1.00 0.00 N ATOM 340 CD2 HIS A 23 14.508 4.341 -10.634 1.00 0.00 C ATOM 341 CE1 HIS A 23 14.411 3.700 -12.702 1.00 0.00 C ATOM 342 NE2 HIS A 23 15.285 4.029 -11.747 1.00 0.00 N ATOM 0 H HIS A 23 10.201 2.742 -9.427 1.00 0.00 H new ATOM 0 HA HIS A 23 12.993 3.084 -8.785 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.060 4.048 -10.690 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.778 5.455 -9.932 1.00 0.00 H new ATOM 0 HD2 HIS A 23 14.893 4.652 -9.674 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.691 3.403 -13.702 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.302 4.048 -11.818 1.00 0.00 H new ATOM 350 N MET A 24 10.844 5.153 -7.361 1.00 0.00 N ATOM 351 CA MET A 24 10.730 6.126 -6.238 1.00 0.00 C ATOM 352 C MET A 24 11.108 5.446 -4.921 1.00 0.00 C ATOM 353 O MET A 24 11.642 6.067 -4.025 1.00 0.00 O ATOM 354 CB MET A 24 9.291 6.637 -6.152 1.00 0.00 C ATOM 355 CG MET A 24 8.328 5.449 -6.116 1.00 0.00 C ATOM 356 SD MET A 24 6.749 5.971 -5.400 1.00 0.00 S ATOM 357 CE MET A 24 6.648 7.583 -6.217 1.00 0.00 C ATOM 0 H MET A 24 9.975 4.965 -7.861 1.00 0.00 H new ATOM 0 HA MET A 24 11.406 6.962 -6.417 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.164 7.249 -5.259 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.068 7.273 -7.008 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.172 5.063 -7.123 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.756 4.638 -5.527 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.615 7.930 -6.210 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.275 8.300 -5.687 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.993 7.491 -7.247 1.00 0.00 H new ATOM 367 N LEU A 25 10.834 4.178 -4.791 1.00 0.00 N ATOM 368 CA LEU A 25 11.178 3.470 -3.526 1.00 0.00 C ATOM 369 C LEU A 25 12.662 3.094 -3.539 1.00 0.00 C ATOM 370 O LEU A 25 13.255 2.832 -2.511 1.00 0.00 O ATOM 371 CB LEU A 25 10.326 2.205 -3.400 1.00 0.00 C ATOM 372 CG LEU A 25 8.980 2.560 -2.764 1.00 0.00 C ATOM 373 CD1 LEU A 25 8.084 1.322 -2.736 1.00 0.00 C ATOM 374 CD2 LEU A 25 9.208 3.056 -1.334 1.00 0.00 C ATOM 0 H LEU A 25 10.387 3.602 -5.505 1.00 0.00 H new ATOM 0 HA LEU A 25 10.979 4.124 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.170 1.759 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.844 1.464 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 25 8.498 3.343 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.126 1.576 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.921 0.968 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.565 0.538 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.250 3.309 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.691 2.273 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.846 3.940 -1.353 1.00 0.00 H new ATOM 386 N MET A 26 13.266 3.062 -4.694 1.00 0.00 N ATOM 387 CA MET A 26 14.709 2.702 -4.771 1.00 0.00 C ATOM 388 C MET A 26 15.573 3.925 -4.447 1.00 0.00 C ATOM 389 O MET A 26 16.735 3.802 -4.116 1.00 0.00 O ATOM 390 CB MET A 26 15.035 2.210 -6.183 1.00 0.00 C ATOM 391 CG MET A 26 16.103 1.119 -6.110 1.00 0.00 C ATOM 392 SD MET A 26 17.247 1.299 -7.502 1.00 0.00 S ATOM 393 CE MET A 26 18.607 2.056 -6.580 1.00 0.00 C ATOM 0 H MET A 26 12.822 3.270 -5.589 1.00 0.00 H new ATOM 0 HA MET A 26 14.920 1.914 -4.048 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.136 1.822 -6.661 1.00 0.00 H new ATOM 0 HB3 MET A 26 15.389 3.039 -6.796 1.00 0.00 H new ATOM 0 HG2 MET A 26 16.646 1.190 -5.168 1.00 0.00 H new ATOM 0 HG3 MET A 26 15.635 0.135 -6.135 1.00 0.00 H new ATOM 0 HE1 MET A 26 19.438 2.257 -7.257 1.00 0.00 H new ATOM 0 HE2 MET A 26 18.268 2.991 -6.134 1.00 0.00 H new ATOM 0 HE3 MET A 26 18.936 1.377 -5.794 1.00 0.00 H new ATOM 403 N ARG A 27 15.023 5.107 -4.547 1.00 0.00 N ATOM 404 CA ARG A 27 15.828 6.328 -4.251 1.00 0.00 C ATOM 405 C ARG A 27 15.580 6.795 -2.812 1.00 0.00 C ATOM 406 O ARG A 27 16.081 7.818 -2.390 1.00 0.00 O ATOM 407 CB ARG A 27 15.447 7.438 -5.227 1.00 0.00 C ATOM 408 CG ARG A 27 14.085 7.983 -4.838 1.00 0.00 C ATOM 409 CD ARG A 27 13.611 8.992 -5.885 1.00 0.00 C ATOM 410 NE ARG A 27 13.488 8.317 -7.207 1.00 0.00 N ATOM 411 CZ ARG A 27 12.824 8.890 -8.174 1.00 0.00 C ATOM 412 NH1 ARG A 27 13.263 10.001 -8.698 1.00 0.00 N ATOM 413 NH2 ARG A 27 11.722 8.350 -8.617 1.00 0.00 N ATOM 0 H ARG A 27 14.055 5.279 -4.820 1.00 0.00 H new ATOM 0 HA ARG A 27 16.886 6.090 -4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 27 16.192 8.233 -5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.423 7.053 -6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.367 7.167 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.140 8.460 -3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.650 9.414 -5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.316 9.821 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 27 13.923 7.407 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.125 10.422 -8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.744 10.449 -9.454 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.380 7.481 -8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.203 8.797 -9.372 1.00 0.00 H new ATOM 427 N VAL A 28 14.809 6.061 -2.056 1.00 0.00 N ATOM 428 CA VAL A 28 14.530 6.466 -0.658 1.00 0.00 C ATOM 429 C VAL A 28 15.663 5.976 0.251 1.00 0.00 C ATOM 430 O VAL A 28 16.568 5.297 -0.196 1.00 0.00 O ATOM 431 CB VAL A 28 13.188 5.851 -0.230 1.00 0.00 C ATOM 432 CG1 VAL A 28 12.274 5.701 -1.444 1.00 0.00 C ATOM 433 CG2 VAL A 28 13.401 4.472 0.413 1.00 0.00 C ATOM 0 H VAL A 28 14.360 5.194 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 28 14.471 7.552 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 28 12.727 6.516 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.325 5.265 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.095 6.680 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.749 5.051 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.438 4.056 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.880 3.806 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.037 4.575 1.292 1.00 0.00 H new ATOM 443 N PRO A 29 15.567 6.329 1.503 1.00 0.00 N ATOM 444 CA PRO A 29 16.538 5.961 2.562 1.00 0.00 C ATOM 445 C PRO A 29 16.287 4.511 2.997 1.00 0.00 C ATOM 446 O PRO A 29 15.788 3.712 2.231 1.00 0.00 O ATOM 447 CB PRO A 29 16.281 6.944 3.708 1.00 0.00 C ATOM 448 CG PRO A 29 14.848 7.447 3.527 1.00 0.00 C ATOM 449 CD PRO A 29 14.466 7.158 2.072 1.00 0.00 C ATOM 0 HA PRO A 29 17.574 6.019 2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.403 6.455 4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 29 16.990 7.771 3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.170 6.941 4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.781 8.514 3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.514 6.629 2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.348 8.085 1.510 1.00 0.00 H new ATOM 457 N ARG A 30 16.638 4.167 4.208 1.00 0.00 N ATOM 458 CA ARG A 30 16.429 2.768 4.693 1.00 0.00 C ATOM 459 C ARG A 30 15.036 2.277 4.288 1.00 0.00 C ATOM 460 O ARG A 30 14.061 2.995 4.382 1.00 0.00 O ATOM 461 CB ARG A 30 16.550 2.735 6.219 1.00 0.00 C ATOM 462 CG ARG A 30 17.995 2.426 6.611 1.00 0.00 C ATOM 463 CD ARG A 30 18.019 1.251 7.592 1.00 0.00 C ATOM 464 NE ARG A 30 19.346 1.190 8.269 1.00 0.00 N ATOM 465 CZ ARG A 30 20.433 1.485 7.609 1.00 0.00 C ATOM 466 NH1 ARG A 30 20.735 0.828 6.523 1.00 0.00 N ATOM 467 NH2 ARG A 30 21.215 2.441 8.033 1.00 0.00 N ATOM 0 H ARG A 30 17.063 4.798 4.887 1.00 0.00 H new ATOM 0 HA ARG A 30 17.184 2.120 4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.245 3.694 6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 30 15.881 1.979 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.580 2.184 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.455 3.303 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.227 1.366 8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.827 0.318 7.062 1.00 0.00 H new ATOM 0 HE ARG A 30 19.405 0.917 9.250 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.122 0.084 6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.584 1.058 6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.976 2.957 8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.064 2.672 7.517 1.00 0.00 H new ATOM 481 N ASP A 31 14.941 1.058 3.830 1.00 0.00 N ATOM 482 CA ASP A 31 13.616 0.520 3.411 1.00 0.00 C ATOM 483 C ASP A 31 12.638 0.582 4.585 1.00 0.00 C ATOM 484 O ASP A 31 12.946 1.104 5.639 1.00 0.00 O ATOM 485 CB ASP A 31 13.778 -0.934 2.962 1.00 0.00 C ATOM 486 CG ASP A 31 14.680 -1.676 3.949 1.00 0.00 C ATOM 487 OD1 ASP A 31 14.503 -1.485 5.141 1.00 0.00 O ATOM 488 OD2 ASP A 31 15.534 -2.421 3.497 1.00 0.00 O ATOM 0 H ASP A 31 15.724 0.412 3.728 1.00 0.00 H new ATOM 0 HA ASP A 31 13.228 1.119 2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.804 -1.420 2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.209 -0.971 1.961 1.00 0.00 H new ATOM 493 N GLY A 32 11.459 0.051 4.410 1.00 0.00 N ATOM 494 CA GLY A 32 10.454 0.076 5.509 1.00 0.00 C ATOM 495 C GLY A 32 9.544 1.294 5.343 1.00 0.00 C ATOM 496 O GLY A 32 9.831 2.366 5.838 1.00 0.00 O ATOM 0 H GLY A 32 11.148 -0.401 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.861 -0.839 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.957 0.114 6.475 1.00 0.00 H new ATOM 500 N ALA A 33 8.447 1.141 4.651 1.00 0.00 N ATOM 501 CA ALA A 33 7.521 2.295 4.459 1.00 0.00 C ATOM 502 C ALA A 33 6.235 1.817 3.781 1.00 0.00 C ATOM 503 O ALA A 33 6.254 0.937 2.945 1.00 0.00 O ATOM 504 CB ALA A 33 8.198 3.351 3.583 1.00 0.00 C ATOM 0 H ALA A 33 8.152 0.269 4.211 1.00 0.00 H new ATOM 0 HA ALA A 33 7.277 2.728 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.522 4.195 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.111 3.695 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.443 2.917 2.614 1.00 0.00 H new ATOM 510 N PHE A 34 5.115 2.389 4.138 1.00 0.00 N ATOM 511 CA PHE A 34 3.829 1.959 3.512 1.00 0.00 C ATOM 512 C PHE A 34 3.323 3.044 2.555 1.00 0.00 C ATOM 513 O PHE A 34 3.213 4.199 2.913 1.00 0.00 O ATOM 514 CB PHE A 34 2.783 1.722 4.605 1.00 0.00 C ATOM 515 CG PHE A 34 2.362 3.048 5.195 1.00 0.00 C ATOM 516 CD1 PHE A 34 3.072 3.591 6.273 1.00 0.00 C ATOM 517 CD2 PHE A 34 1.264 3.735 4.665 1.00 0.00 C ATOM 518 CE1 PHE A 34 2.685 4.820 6.820 1.00 0.00 C ATOM 519 CE2 PHE A 34 0.876 4.964 5.211 1.00 0.00 C ATOM 520 CZ PHE A 34 1.587 5.506 6.288 1.00 0.00 C ATOM 0 H PHE A 34 5.035 3.132 4.832 1.00 0.00 H new ATOM 0 HA PHE A 34 3.996 1.037 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.918 1.206 4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.194 1.079 5.384 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.919 3.061 6.683 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.716 3.317 3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.233 5.238 7.651 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.029 5.494 4.802 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.288 6.455 6.709 1.00 0.00 H new ATOM 530 N LEU A 35 3.002 2.673 1.342 1.00 0.00 N ATOM 531 CA LEU A 35 2.490 3.673 0.357 1.00 0.00 C ATOM 532 C LEU A 35 1.495 2.990 -0.588 1.00 0.00 C ATOM 533 O LEU A 35 1.523 1.789 -0.773 1.00 0.00 O ATOM 534 CB LEU A 35 3.654 4.243 -0.459 1.00 0.00 C ATOM 535 CG LEU A 35 4.712 4.818 0.482 1.00 0.00 C ATOM 536 CD1 LEU A 35 5.627 3.694 0.972 1.00 0.00 C ATOM 537 CD2 LEU A 35 5.546 5.862 -0.267 1.00 0.00 C ATOM 0 H LEU A 35 3.073 1.718 0.990 1.00 0.00 H new ATOM 0 HA LEU A 35 1.995 4.484 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.092 3.462 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.292 5.020 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 35 4.222 5.285 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.381 4.105 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.035 2.949 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.117 3.226 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.301 6.273 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.035 5.393 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.896 6.664 -0.617 1.00 0.00 H new ATOM 549 N VAL A 36 0.616 3.747 -1.190 1.00 0.00 N ATOM 550 CA VAL A 36 -0.381 3.143 -2.123 1.00 0.00 C ATOM 551 C VAL A 36 -0.219 3.768 -3.511 1.00 0.00 C ATOM 552 O VAL A 36 0.461 4.762 -3.673 1.00 0.00 O ATOM 553 CB VAL A 36 -1.794 3.412 -1.597 1.00 0.00 C ATOM 554 CG1 VAL A 36 -2.821 3.120 -2.695 1.00 0.00 C ATOM 555 CG2 VAL A 36 -2.069 2.508 -0.393 1.00 0.00 C ATOM 0 H VAL A 36 0.545 4.758 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.219 2.067 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.873 4.457 -1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.824 3.313 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.628 3.763 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.742 2.076 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.074 2.698 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.986 1.464 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.343 2.717 0.392 1.00 0.00 H new ATOM 565 N ARG A 37 -0.831 3.199 -4.517 1.00 0.00 N ATOM 566 CA ARG A 37 -0.695 3.776 -5.884 1.00 0.00 C ATOM 567 C ARG A 37 -1.790 3.214 -6.793 1.00 0.00 C ATOM 568 O ARG A 37 -2.161 2.061 -6.696 1.00 0.00 O ATOM 569 CB ARG A 37 0.678 3.417 -6.455 1.00 0.00 C ATOM 570 CG ARG A 37 0.765 1.903 -6.660 1.00 0.00 C ATOM 571 CD ARG A 37 0.821 1.595 -8.157 1.00 0.00 C ATOM 572 NE ARG A 37 2.225 1.725 -8.637 1.00 0.00 N ATOM 573 CZ ARG A 37 2.565 1.243 -9.802 1.00 0.00 C ATOM 574 NH1 ARG A 37 2.112 1.795 -10.894 1.00 0.00 N ATOM 575 NH2 ARG A 37 3.358 0.208 -9.873 1.00 0.00 N ATOM 0 H ARG A 37 -1.415 2.365 -4.451 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.794 4.860 -5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.836 3.933 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.464 3.749 -5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.651 1.508 -6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.098 1.414 -6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.452 0.587 -8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.173 2.279 -8.705 1.00 0.00 H new ATOM 0 HE ARG A 37 2.921 2.191 -8.055 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.492 2.603 -10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.378 1.418 -11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.711 -0.223 -9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.624 -0.169 -10.783 1.00 0.00 H new ATOM 589 N LYS A 38 -2.308 4.022 -7.678 1.00 0.00 N ATOM 590 CA LYS A 38 -3.377 3.538 -8.597 1.00 0.00 C ATOM 591 C LYS A 38 -2.742 3.022 -9.889 1.00 0.00 C ATOM 592 O LYS A 38 -1.714 3.505 -10.323 1.00 0.00 O ATOM 593 CB LYS A 38 -4.329 4.692 -8.921 1.00 0.00 C ATOM 594 CG LYS A 38 -5.681 4.446 -8.249 1.00 0.00 C ATOM 595 CD LYS A 38 -5.683 5.082 -6.858 1.00 0.00 C ATOM 596 CE LYS A 38 -6.380 4.146 -5.869 1.00 0.00 C ATOM 597 NZ LYS A 38 -7.250 4.944 -4.958 1.00 0.00 N ATOM 0 H LYS A 38 -2.037 4.997 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.932 2.731 -8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.905 5.635 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.458 4.778 -10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.482 4.869 -8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.871 3.375 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.660 5.275 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.195 6.044 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.977 3.410 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.639 3.594 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.724 4.308 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.669 5.630 -4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.965 5.452 -5.517 1.00 0.00 H new ATOM 611 N ARG A 39 -3.345 2.045 -10.511 1.00 0.00 N ATOM 612 CA ARG A 39 -2.774 1.503 -11.777 1.00 0.00 C ATOM 613 C ARG A 39 -3.093 2.459 -12.927 1.00 0.00 C ATOM 614 O ARG A 39 -3.369 3.623 -12.721 1.00 0.00 O ATOM 615 CB ARG A 39 -3.386 0.131 -12.069 1.00 0.00 C ATOM 616 CG ARG A 39 -3.541 -0.652 -10.764 1.00 0.00 C ATOM 617 CD ARG A 39 -2.215 -0.643 -10.001 1.00 0.00 C ATOM 618 NE ARG A 39 -1.212 -1.474 -10.727 1.00 0.00 N ATOM 619 CZ ARG A 39 -1.583 -2.565 -11.341 1.00 0.00 C ATOM 620 NH1 ARG A 39 -2.282 -3.466 -10.707 1.00 0.00 N ATOM 621 NH2 ARG A 39 -1.254 -2.754 -12.591 1.00 0.00 N ATOM 0 H ARG A 39 -4.207 1.599 -10.198 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.693 1.402 -11.675 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.357 0.250 -12.551 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.752 -0.421 -12.763 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.327 -0.208 -10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.843 -1.677 -10.977 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.850 0.379 -9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.362 -1.031 -8.993 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.233 -1.189 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.539 -3.318 -9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.571 -4.318 -11.187 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.708 -2.050 -13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.543 -3.606 -13.071 1.00 0.00 H new ATOM 635 N ASN A 40 -3.060 1.975 -14.140 1.00 0.00 N ATOM 636 CA ASN A 40 -3.365 2.857 -15.302 1.00 0.00 C ATOM 637 C ASN A 40 -4.867 2.818 -15.587 1.00 0.00 C ATOM 638 O ASN A 40 -5.294 2.872 -16.724 1.00 0.00 O ATOM 639 CB ASN A 40 -2.598 2.367 -16.532 1.00 0.00 C ATOM 640 CG ASN A 40 -1.967 3.561 -17.249 1.00 0.00 C ATOM 641 OD1 ASN A 40 -0.864 3.470 -17.751 1.00 0.00 O ATOM 642 ND2 ASN A 40 -2.623 4.686 -17.321 1.00 0.00 N ATOM 0 H ASN A 40 -2.835 1.008 -14.375 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.064 3.879 -15.072 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.825 1.659 -16.233 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.271 1.838 -17.207 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.210 5.487 -17.798 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.549 4.764 -16.900 1.00 0.00 H new ATOM 649 N GLU A 41 -5.672 2.725 -14.565 1.00 0.00 N ATOM 650 CA GLU A 41 -7.145 2.681 -14.776 1.00 0.00 C ATOM 651 C GLU A 41 -7.855 2.800 -13.426 1.00 0.00 C ATOM 652 O GLU A 41 -7.262 2.569 -12.391 1.00 0.00 O ATOM 653 CB GLU A 41 -7.525 1.353 -15.435 1.00 0.00 C ATOM 654 CG GLU A 41 -8.081 1.618 -16.836 1.00 0.00 C ATOM 655 CD GLU A 41 -9.248 0.666 -17.111 1.00 0.00 C ATOM 656 OE1 GLU A 41 -9.061 -0.528 -16.949 1.00 0.00 O ATOM 657 OE2 GLU A 41 -10.306 1.148 -17.479 1.00 0.00 O ATOM 0 H GLU A 41 -5.372 2.678 -13.591 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.446 3.507 -15.421 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.653 0.702 -15.496 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.268 0.834 -14.830 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.415 2.652 -16.917 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.299 1.477 -17.582 1.00 0.00 H new ATOM 664 N PRO A 42 -9.109 3.158 -13.485 1.00 0.00 N ATOM 665 CA PRO A 42 -10.000 3.336 -12.310 1.00 0.00 C ATOM 666 C PRO A 42 -10.547 1.980 -11.851 1.00 0.00 C ATOM 667 O PRO A 42 -11.689 1.866 -11.452 1.00 0.00 O ATOM 668 CB PRO A 42 -11.143 4.221 -12.797 1.00 0.00 C ATOM 669 CG PRO A 42 -11.203 4.040 -14.318 1.00 0.00 C ATOM 670 CD PRO A 42 -9.849 3.455 -14.743 1.00 0.00 C ATOM 0 HA PRO A 42 -9.472 3.778 -11.465 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.085 3.931 -12.333 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.967 5.264 -12.535 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.018 3.373 -14.597 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.387 4.993 -14.815 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.985 2.551 -15.337 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.297 4.162 -15.361 1.00 0.00 H new ATOM 678 N ASN A 43 -9.747 0.950 -11.909 1.00 0.00 N ATOM 679 CA ASN A 43 -10.232 -0.389 -11.479 1.00 0.00 C ATOM 680 C ASN A 43 -9.389 -0.895 -10.307 1.00 0.00 C ATOM 681 O ASN A 43 -9.644 -0.577 -9.162 1.00 0.00 O ATOM 682 CB ASN A 43 -10.127 -1.368 -12.653 1.00 0.00 C ATOM 683 CG ASN A 43 -11.352 -1.218 -13.557 1.00 0.00 C ATOM 684 OD1 ASN A 43 -12.179 -0.355 -13.341 1.00 0.00 O ATOM 685 ND2 ASN A 43 -11.505 -2.029 -14.568 1.00 0.00 N ATOM 0 H ASN A 43 -8.781 0.979 -12.235 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.272 -0.312 -11.161 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.217 -1.174 -13.221 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.059 -2.391 -12.282 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.319 -1.938 -15.176 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.811 -2.754 -14.750 1.00 0.00 H new ATOM 692 N SER A 44 -8.394 -1.683 -10.585 1.00 0.00 N ATOM 693 CA SER A 44 -7.533 -2.223 -9.494 1.00 0.00 C ATOM 694 C SER A 44 -6.594 -1.129 -8.974 1.00 0.00 C ATOM 695 O SER A 44 -6.451 -0.080 -9.572 1.00 0.00 O ATOM 696 CB SER A 44 -6.700 -3.383 -10.039 1.00 0.00 C ATOM 697 OG SER A 44 -6.052 -2.975 -11.236 1.00 0.00 O ATOM 0 H SER A 44 -8.136 -1.980 -11.526 1.00 0.00 H new ATOM 0 HA SER A 44 -8.166 -2.569 -8.677 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.961 -3.694 -9.300 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.339 -4.245 -10.233 1.00 0.00 H new ATOM 0 HG SER A 44 -5.516 -3.716 -11.587 1.00 0.00 H new ATOM 703 N TYR A 45 -5.944 -1.382 -7.870 1.00 0.00 N ATOM 704 CA TYR A 45 -4.995 -0.380 -7.294 1.00 0.00 C ATOM 705 C TYR A 45 -3.699 -1.098 -6.907 1.00 0.00 C ATOM 706 O TYR A 45 -3.425 -2.185 -7.378 1.00 0.00 O ATOM 707 CB TYR A 45 -5.611 0.272 -6.050 1.00 0.00 C ATOM 708 CG TYR A 45 -7.029 0.700 -6.350 1.00 0.00 C ATOM 709 CD1 TYR A 45 -7.313 1.403 -7.526 1.00 0.00 C ATOM 710 CD2 TYR A 45 -8.058 0.397 -5.451 1.00 0.00 C ATOM 711 CE1 TYR A 45 -8.625 1.801 -7.804 1.00 0.00 C ATOM 712 CE2 TYR A 45 -9.371 0.795 -5.729 1.00 0.00 C ATOM 713 CZ TYR A 45 -9.655 1.496 -6.906 1.00 0.00 C ATOM 714 OH TYR A 45 -10.948 1.889 -7.181 1.00 0.00 O ATOM 0 H TYR A 45 -6.029 -2.247 -7.336 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.789 0.396 -8.032 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.601 -0.430 -5.217 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.017 1.134 -5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.519 1.638 -8.219 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.839 -0.144 -4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.843 2.344 -8.712 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.165 0.561 -5.035 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.540 1.597 -6.456 1.00 0.00 H new ATOM 724 N ALA A 46 -2.896 -0.513 -6.057 1.00 0.00 N ATOM 725 CA ALA A 46 -1.628 -1.192 -5.664 1.00 0.00 C ATOM 726 C ALA A 46 -1.140 -0.652 -4.319 1.00 0.00 C ATOM 727 O ALA A 46 -1.672 0.305 -3.792 1.00 0.00 O ATOM 728 CB ALA A 46 -0.563 -0.935 -6.732 1.00 0.00 C ATOM 0 H ALA A 46 -3.061 0.395 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.809 -2.263 -5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.365 -1.430 -6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.905 -1.328 -7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.389 0.137 -6.822 1.00 0.00 H new ATOM 734 N ILE A 47 -0.128 -1.258 -3.762 1.00 0.00 N ATOM 735 CA ILE A 47 0.403 -0.782 -2.452 1.00 0.00 C ATOM 736 C ILE A 47 1.929 -0.877 -2.466 1.00 0.00 C ATOM 737 O ILE A 47 2.496 -1.931 -2.257 1.00 0.00 O ATOM 738 CB ILE A 47 -0.152 -1.651 -1.323 1.00 0.00 C ATOM 739 CG1 ILE A 47 -1.676 -1.517 -1.281 1.00 0.00 C ATOM 740 CG2 ILE A 47 0.436 -1.193 0.012 1.00 0.00 C ATOM 741 CD1 ILE A 47 -2.249 -2.508 -0.267 1.00 0.00 C ATOM 0 H ILE A 47 0.356 -2.064 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 47 0.099 0.252 -2.290 1.00 0.00 H new ATOM 0 HB ILE A 47 0.118 -2.692 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.955 -0.499 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.096 -1.708 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.040 -1.813 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.522 -1.287 -0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.167 -0.152 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.334 -2.412 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.982 -3.523 -0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.839 -2.296 0.721 1.00 0.00 H new ATOM 753 N SER A 48 2.600 0.214 -2.717 1.00 0.00 N ATOM 754 CA SER A 48 4.088 0.180 -2.751 1.00 0.00 C ATOM 755 C SER A 48 4.641 0.364 -1.336 1.00 0.00 C ATOM 756 O SER A 48 4.343 1.328 -0.664 1.00 0.00 O ATOM 757 CB SER A 48 4.601 1.306 -3.650 1.00 0.00 C ATOM 758 OG SER A 48 3.923 2.513 -3.325 1.00 0.00 O ATOM 0 H SER A 48 2.182 1.126 -2.900 1.00 0.00 H new ATOM 0 HA SER A 48 4.419 -0.781 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.676 1.432 -3.517 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.437 1.054 -4.698 1.00 0.00 H new ATOM 0 HG SER A 48 4.251 3.237 -3.898 1.00 0.00 H new ATOM 764 N PHE A 49 5.447 -0.554 -0.883 1.00 0.00 N ATOM 765 CA PHE A 49 6.023 -0.434 0.486 1.00 0.00 C ATOM 766 C PHE A 49 7.396 -1.107 0.514 1.00 0.00 C ATOM 767 O PHE A 49 7.547 -2.246 0.119 1.00 0.00 O ATOM 768 CB PHE A 49 5.098 -1.122 1.492 1.00 0.00 C ATOM 769 CG PHE A 49 4.890 -2.559 1.080 1.00 0.00 C ATOM 770 CD1 PHE A 49 3.853 -2.890 0.201 1.00 0.00 C ATOM 771 CD2 PHE A 49 5.735 -3.558 1.576 1.00 0.00 C ATOM 772 CE1 PHE A 49 3.661 -4.223 -0.184 1.00 0.00 C ATOM 773 CE2 PHE A 49 5.544 -4.890 1.192 1.00 0.00 C ATOM 774 CZ PHE A 49 4.507 -5.222 0.311 1.00 0.00 C ATOM 0 H PHE A 49 5.733 -1.384 -1.402 1.00 0.00 H new ATOM 0 HA PHE A 49 6.124 0.619 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.532 -1.078 2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.141 -0.603 1.537 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.201 -2.118 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.534 -3.301 2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.861 -4.480 -0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.196 -5.661 1.575 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.360 -6.250 0.013 1.00 0.00 H new ATOM 784 N ARG A 50 8.400 -0.415 0.977 1.00 0.00 N ATOM 785 CA ARG A 50 9.758 -1.024 1.026 1.00 0.00 C ATOM 786 C ARG A 50 9.884 -1.874 2.294 1.00 0.00 C ATOM 787 O ARG A 50 9.385 -1.517 3.343 1.00 0.00 O ATOM 788 CB ARG A 50 10.817 0.080 1.042 1.00 0.00 C ATOM 789 CG ARG A 50 11.418 0.231 -0.357 1.00 0.00 C ATOM 790 CD ARG A 50 12.927 0.457 -0.241 1.00 0.00 C ATOM 791 NE ARG A 50 13.651 -0.663 -0.907 1.00 0.00 N ATOM 792 CZ ARG A 50 14.920 -0.543 -1.187 1.00 0.00 C ATOM 793 NH1 ARG A 50 15.365 0.550 -1.743 1.00 0.00 N ATOM 794 NH2 ARG A 50 15.745 -1.517 -0.911 1.00 0.00 N ATOM 0 H ARG A 50 8.339 0.543 1.322 1.00 0.00 H new ATOM 0 HA ARG A 50 9.908 -1.652 0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.371 1.022 1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.599 -0.162 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.217 -0.662 -0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.953 1.069 -0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.200 1.406 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.217 0.518 0.808 1.00 0.00 H new ATOM 0 HE ARG A 50 13.155 -1.522 -1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.721 1.311 -1.959 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.357 0.644 -1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.398 -2.372 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.737 -1.423 -1.130 1.00 0.00 H new ATOM 808 N ALA A 51 10.542 -2.997 2.203 1.00 0.00 N ATOM 809 CA ALA A 51 10.696 -3.868 3.401 1.00 0.00 C ATOM 810 C ALA A 51 11.603 -5.053 3.058 1.00 0.00 C ATOM 811 O ALA A 51 11.515 -5.625 1.990 1.00 0.00 O ATOM 812 CB ALA A 51 9.324 -4.386 3.836 1.00 0.00 C ATOM 0 H ALA A 51 10.979 -3.348 1.351 1.00 0.00 H new ATOM 0 HA ALA A 51 11.141 -3.292 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.437 -5.024 4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.678 -3.543 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.878 -4.961 3.024 1.00 0.00 H new ATOM 818 N GLU A 52 12.470 -5.429 3.958 1.00 0.00 N ATOM 819 CA GLU A 52 13.378 -6.578 3.684 1.00 0.00 C ATOM 820 C GLU A 52 14.355 -6.204 2.567 1.00 0.00 C ATOM 821 O GLU A 52 14.907 -7.056 1.901 1.00 0.00 O ATOM 822 CB GLU A 52 12.551 -7.790 3.251 1.00 0.00 C ATOM 823 CG GLU A 52 11.268 -7.855 4.082 1.00 0.00 C ATOM 824 CD GLU A 52 11.027 -9.296 4.537 1.00 0.00 C ATOM 825 OE1 GLU A 52 10.474 -10.057 3.759 1.00 0.00 O ATOM 826 OE2 GLU A 52 11.398 -9.613 5.654 1.00 0.00 O ATOM 0 H GLU A 52 12.589 -4.990 4.871 1.00 0.00 H new ATOM 0 HA GLU A 52 13.936 -6.822 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.307 -7.717 2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.129 -8.704 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.349 -7.198 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.422 -7.502 3.492 1.00 0.00 H new ATOM 833 N GLY A 53 14.573 -4.934 2.356 1.00 0.00 N ATOM 834 CA GLY A 53 15.515 -4.510 1.283 1.00 0.00 C ATOM 835 C GLY A 53 14.938 -4.890 -0.082 1.00 0.00 C ATOM 836 O GLY A 53 15.658 -5.051 -1.047 1.00 0.00 O ATOM 0 H GLY A 53 14.140 -4.173 2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.680 -3.434 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 53 16.484 -4.988 1.426 1.00 0.00 H new ATOM 840 N LYS A 54 13.644 -5.036 -0.170 1.00 0.00 N ATOM 841 CA LYS A 54 13.023 -5.405 -1.474 1.00 0.00 C ATOM 842 C LYS A 54 11.742 -4.593 -1.677 1.00 0.00 C ATOM 843 O LYS A 54 10.778 -4.746 -0.955 1.00 0.00 O ATOM 844 CB LYS A 54 12.686 -6.898 -1.474 1.00 0.00 C ATOM 845 CG LYS A 54 13.979 -7.713 -1.400 1.00 0.00 C ATOM 846 CD LYS A 54 14.320 -8.260 -2.789 1.00 0.00 C ATOM 847 CE LYS A 54 14.952 -9.647 -2.652 1.00 0.00 C ATOM 848 NZ LYS A 54 16.175 -9.556 -1.806 1.00 0.00 N ATOM 0 H LYS A 54 12.990 -4.916 0.604 1.00 0.00 H new ATOM 0 HA LYS A 54 13.721 -5.190 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.044 -7.137 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.132 -7.157 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.794 -7.089 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.863 -8.534 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.419 -8.318 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.007 -7.585 -3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.239 -10.340 -2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.206 -10.041 -3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.731 -10.430 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.749 -8.745 -2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.900 -9.430 -0.811 1.00 0.00 H new ATOM 862 N ILE A 55 11.724 -3.729 -2.656 1.00 0.00 N ATOM 863 CA ILE A 55 10.505 -2.909 -2.902 1.00 0.00 C ATOM 864 C ILE A 55 9.340 -3.827 -3.277 1.00 0.00 C ATOM 865 O ILE A 55 9.473 -4.709 -4.101 1.00 0.00 O ATOM 866 CB ILE A 55 10.770 -1.929 -4.045 1.00 0.00 C ATOM 867 CG1 ILE A 55 12.110 -1.228 -3.813 1.00 0.00 C ATOM 868 CG2 ILE A 55 9.652 -0.886 -4.094 1.00 0.00 C ATOM 869 CD1 ILE A 55 13.009 -1.428 -5.034 1.00 0.00 C ATOM 0 H ILE A 55 12.500 -3.556 -3.295 1.00 0.00 H new ATOM 0 HA ILE A 55 10.254 -2.353 -1.999 1.00 0.00 H new ATOM 0 HB ILE A 55 10.801 -2.472 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.950 -0.164 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.593 -1.630 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.841 -0.188 -4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.696 -1.384 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.620 -0.342 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.964 -0.929 -4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.179 -2.493 -5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.526 -1.005 -5.915 1.00 0.00 H new ATOM 881 N LYS A 56 8.198 -3.623 -2.680 1.00 0.00 N ATOM 882 CA LYS A 56 7.026 -4.484 -3.004 1.00 0.00 C ATOM 883 C LYS A 56 5.884 -3.613 -3.530 1.00 0.00 C ATOM 884 O LYS A 56 5.865 -2.414 -3.339 1.00 0.00 O ATOM 885 CB LYS A 56 6.568 -5.219 -1.743 1.00 0.00 C ATOM 886 CG LYS A 56 7.639 -6.228 -1.322 1.00 0.00 C ATOM 887 CD LYS A 56 8.045 -7.079 -2.528 1.00 0.00 C ATOM 888 CE LYS A 56 8.209 -8.536 -2.094 1.00 0.00 C ATOM 889 NZ LYS A 56 8.233 -9.413 -3.298 1.00 0.00 N ATOM 0 H LYS A 56 8.026 -2.898 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 56 7.309 -5.211 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.389 -4.506 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.624 -5.731 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.509 -5.706 -0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.258 -6.867 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.289 -7.004 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.978 -6.707 -2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.131 -8.656 -1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.389 -8.825 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.651 -10.257 -3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.853 -8.893 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.212 -9.702 -3.498 1.00 0.00 H new ATOM 903 N HIS A 57 4.933 -4.206 -4.197 1.00 0.00 N ATOM 904 CA HIS A 57 3.792 -3.415 -4.740 1.00 0.00 C ATOM 905 C HIS A 57 2.584 -4.334 -4.927 1.00 0.00 C ATOM 906 O HIS A 57 2.399 -4.927 -5.970 1.00 0.00 O ATOM 907 CB HIS A 57 4.192 -2.808 -6.085 1.00 0.00 C ATOM 908 CG HIS A 57 5.620 -2.339 -6.015 1.00 0.00 C ATOM 909 ND1 HIS A 57 6.689 -3.189 -6.249 1.00 0.00 N ATOM 910 CD2 HIS A 57 6.168 -1.114 -5.730 1.00 0.00 C ATOM 911 CE1 HIS A 57 7.817 -2.470 -6.101 1.00 0.00 C ATOM 912 NE2 HIS A 57 7.557 -1.199 -5.786 1.00 0.00 N ATOM 0 H HIS A 57 4.896 -5.207 -4.390 1.00 0.00 H new ATOM 0 HA HIS A 57 3.534 -2.615 -4.046 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.078 -3.547 -6.878 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.535 -1.974 -6.330 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.632 -4.179 -6.489 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.608 -0.220 -5.498 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.812 -2.872 -6.222 1.00 0.00 H new ATOM 920 N CYS A 58 1.763 -4.465 -3.920 1.00 0.00 N ATOM 921 CA CYS A 58 0.576 -5.356 -4.044 1.00 0.00 C ATOM 922 C CYS A 58 -0.326 -4.860 -5.179 1.00 0.00 C ATOM 923 O CYS A 58 -0.148 -3.775 -5.699 1.00 0.00 O ATOM 924 CB CYS A 58 -0.186 -5.389 -2.701 1.00 0.00 C ATOM 925 SG CYS A 58 -1.512 -4.149 -2.660 1.00 0.00 S ATOM 0 H CYS A 58 1.863 -3.995 -3.020 1.00 0.00 H new ATOM 0 HA CYS A 58 0.897 -6.370 -4.283 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.609 -6.381 -2.545 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.510 -5.207 -1.882 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.630 -4.696 -3.036 1.00 0.00 H new ATOM 931 N ARG A 59 -1.293 -5.648 -5.561 1.00 0.00 N ATOM 932 CA ARG A 59 -2.207 -5.230 -6.661 1.00 0.00 C ATOM 933 C ARG A 59 -3.659 -5.504 -6.262 1.00 0.00 C ATOM 934 O ARG A 59 -4.274 -6.440 -6.730 1.00 0.00 O ATOM 935 CB ARG A 59 -1.871 -6.005 -7.940 1.00 0.00 C ATOM 936 CG ARG A 59 -1.229 -7.349 -7.585 1.00 0.00 C ATOM 937 CD ARG A 59 -2.260 -8.230 -6.885 1.00 0.00 C ATOM 938 NE ARG A 59 -1.779 -9.642 -6.857 1.00 0.00 N ATOM 939 CZ ARG A 59 -1.122 -10.131 -7.873 1.00 0.00 C ATOM 940 NH1 ARG A 59 0.172 -9.983 -7.947 1.00 0.00 N ATOM 941 NH2 ARG A 59 -1.762 -10.770 -8.815 1.00 0.00 N ATOM 0 H ARG A 59 -1.490 -6.564 -5.158 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.079 -4.163 -6.843 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.776 -6.168 -8.524 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.192 -5.421 -8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.865 -7.841 -8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.366 -7.193 -6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.428 -7.873 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.216 -8.172 -7.406 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.964 -10.227 -6.042 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.671 -9.485 -7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.684 -10.366 -8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.774 -10.886 -8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.250 -11.153 -9.610 1.00 0.00 H new ATOM 955 N VAL A 60 -4.217 -4.688 -5.407 1.00 0.00 N ATOM 956 CA VAL A 60 -5.634 -4.900 -4.991 1.00 0.00 C ATOM 957 C VAL A 60 -6.493 -5.087 -6.245 1.00 0.00 C ATOM 958 O VAL A 60 -6.294 -4.426 -7.245 1.00 0.00 O ATOM 959 CB VAL A 60 -6.116 -3.678 -4.199 1.00 0.00 C ATOM 960 CG1 VAL A 60 -5.021 -3.236 -3.228 1.00 0.00 C ATOM 961 CG2 VAL A 60 -6.427 -2.537 -5.160 1.00 0.00 C ATOM 0 H VAL A 60 -3.754 -3.886 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.715 -5.786 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.015 -3.941 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.363 -2.368 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.796 -4.050 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.123 -2.975 -3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.769 -1.669 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.528 -2.276 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.207 -2.849 -5.855 1.00 0.00 H new ATOM 971 N GLN A 61 -7.435 -5.988 -6.213 1.00 0.00 N ATOM 972 CA GLN A 61 -8.279 -6.209 -7.422 1.00 0.00 C ATOM 973 C GLN A 61 -9.674 -5.622 -7.206 1.00 0.00 C ATOM 974 O GLN A 61 -9.987 -5.097 -6.157 1.00 0.00 O ATOM 975 CB GLN A 61 -8.395 -7.710 -7.691 1.00 0.00 C ATOM 976 CG GLN A 61 -8.108 -7.988 -9.168 1.00 0.00 C ATOM 977 CD GLN A 61 -8.087 -9.498 -9.410 1.00 0.00 C ATOM 978 OE1 GLN A 61 -9.090 -10.081 -9.774 1.00 0.00 O ATOM 979 NE2 GLN A 61 -6.979 -10.162 -9.222 1.00 0.00 N ATOM 0 H GLN A 61 -7.656 -6.577 -5.410 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.815 -5.715 -8.276 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.692 -8.258 -7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.394 -8.061 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.870 -7.520 -9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.151 -7.550 -9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.137 -9.674 -8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.955 -11.169 -9.380 1.00 0.00 H new ATOM 988 N GLN A 62 -10.513 -5.713 -8.202 1.00 0.00 N ATOM 989 CA GLN A 62 -11.896 -5.172 -8.076 1.00 0.00 C ATOM 990 C GLN A 62 -12.866 -6.123 -8.781 1.00 0.00 C ATOM 991 O GLN A 62 -12.600 -6.602 -9.866 1.00 0.00 O ATOM 992 CB GLN A 62 -11.964 -3.788 -8.729 1.00 0.00 C ATOM 993 CG GLN A 62 -13.427 -3.370 -8.898 1.00 0.00 C ATOM 994 CD GLN A 62 -13.730 -3.166 -10.384 1.00 0.00 C ATOM 995 OE1 GLN A 62 -13.077 -2.384 -11.047 1.00 0.00 O ATOM 996 NE2 GLN A 62 -14.701 -3.839 -10.938 1.00 0.00 N ATOM 0 H GLN A 62 -10.298 -6.141 -9.102 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.167 -5.084 -7.024 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.436 -3.059 -8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.467 -3.808 -9.699 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.085 -4.134 -8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.620 -2.450 -8.347 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.249 -4.495 -10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.912 -3.709 -11.927 1.00 0.00 H new ATOM 1005 N GLU A 63 -13.987 -6.409 -8.175 1.00 0.00 N ATOM 1006 CA GLU A 63 -14.961 -7.336 -8.818 1.00 0.00 C ATOM 1007 C GLU A 63 -16.372 -7.015 -8.326 1.00 0.00 C ATOM 1008 O GLU A 63 -16.646 -7.032 -7.143 1.00 0.00 O ATOM 1009 CB GLU A 63 -14.609 -8.779 -8.450 1.00 0.00 C ATOM 1010 CG GLU A 63 -13.445 -9.257 -9.321 1.00 0.00 C ATOM 1011 CD GLU A 63 -13.467 -10.784 -9.408 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -14.414 -11.311 -9.967 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -12.536 -11.400 -8.915 1.00 0.00 O ATOM 0 H GLU A 63 -14.269 -6.042 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.918 -7.215 -9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.338 -8.841 -7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.475 -9.425 -8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.521 -8.824 -10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.498 -8.920 -8.899 1.00 0.00 H new ATOM 1020 N GLY A 64 -17.270 -6.720 -9.226 1.00 0.00 N ATOM 1021 CA GLY A 64 -18.661 -6.394 -8.810 1.00 0.00 C ATOM 1022 C GLY A 64 -18.755 -4.899 -8.501 1.00 0.00 C ATOM 1023 O GLY A 64 -19.390 -4.147 -9.212 1.00 0.00 O ATOM 0 H GLY A 64 -17.099 -6.691 -10.231 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.362 -6.659 -9.602 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -18.937 -6.977 -7.932 1.00 0.00 H new ATOM 1027 N GLN A 65 -18.122 -4.463 -7.446 1.00 0.00 N ATOM 1028 CA GLN A 65 -18.171 -3.017 -7.094 1.00 0.00 C ATOM 1029 C GLN A 65 -17.057 -2.694 -6.092 1.00 0.00 C ATOM 1030 O GLN A 65 -16.482 -1.625 -6.116 1.00 0.00 O ATOM 1031 CB GLN A 65 -19.527 -2.688 -6.466 1.00 0.00 C ATOM 1032 CG GLN A 65 -20.475 -2.163 -7.546 1.00 0.00 C ATOM 1033 CD GLN A 65 -21.611 -1.375 -6.890 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -21.401 -0.678 -5.917 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -22.815 -1.456 -7.387 1.00 0.00 N ATOM 0 H GLN A 65 -17.574 -5.046 -6.814 1.00 0.00 H new ATOM 0 HA GLN A 65 -18.033 -2.422 -7.997 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -19.949 -3.578 -5.998 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -19.405 -1.942 -5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -19.931 -1.525 -8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.881 -2.994 -8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -22.991 -2.041 -8.204 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.580 -0.934 -6.959 1.00 0.00 H new ATOM 1044 N THR A 66 -16.760 -3.602 -5.202 1.00 0.00 N ATOM 1045 CA THR A 66 -15.699 -3.337 -4.197 1.00 0.00 C ATOM 1046 C THR A 66 -14.370 -3.950 -4.645 1.00 0.00 C ATOM 1047 O THR A 66 -14.250 -4.485 -5.728 1.00 0.00 O ATOM 1048 CB THR A 66 -16.113 -3.908 -2.833 1.00 0.00 C ATOM 1049 OG1 THR A 66 -15.025 -4.604 -2.248 1.00 0.00 O ATOM 1050 CG2 THR A 66 -17.307 -4.858 -2.962 1.00 0.00 C ATOM 0 H THR A 66 -17.208 -4.515 -5.130 1.00 0.00 H new ATOM 0 HA THR A 66 -15.568 -2.259 -4.105 1.00 0.00 H new ATOM 0 HB THR A 66 -16.404 -3.071 -2.199 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.995 -4.416 -1.287 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.573 -5.244 -1.978 1.00 0.00 H new ATOM 0 HG22 THR A 66 -18.156 -4.320 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 66 -17.043 -5.688 -3.617 1.00 0.00 H new ATOM 1058 N VAL A 67 -13.363 -3.851 -3.817 1.00 0.00 N ATOM 1059 CA VAL A 67 -12.023 -4.402 -4.186 1.00 0.00 C ATOM 1060 C VAL A 67 -11.695 -5.645 -3.380 1.00 0.00 C ATOM 1061 O VAL A 67 -11.797 -5.654 -2.171 1.00 0.00 O ATOM 1062 CB VAL A 67 -10.915 -3.393 -3.861 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -10.500 -2.644 -5.115 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -11.393 -2.405 -2.796 1.00 0.00 C ATOM 0 H VAL A 67 -13.410 -3.411 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.069 -4.625 -5.252 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.053 -3.937 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.713 -1.931 -4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.130 -3.352 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.359 -2.110 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.596 -1.695 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.267 -1.867 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.657 -2.948 -1.888 1.00 0.00 H new ATOM 1074 N MET A 68 -11.197 -6.658 -4.026 1.00 0.00 N ATOM 1075 CA MET A 68 -10.754 -7.848 -3.273 1.00 0.00 C ATOM 1076 C MET A 68 -9.353 -7.483 -2.800 1.00 0.00 C ATOM 1077 O MET A 68 -8.384 -7.638 -3.517 1.00 0.00 O ATOM 1078 CB MET A 68 -10.700 -9.073 -4.191 1.00 0.00 C ATOM 1079 CG MET A 68 -12.105 -9.385 -4.712 1.00 0.00 C ATOM 1080 SD MET A 68 -12.211 -11.140 -5.143 1.00 0.00 S ATOM 1081 CE MET A 68 -12.393 -11.777 -3.459 1.00 0.00 C ATOM 0 H MET A 68 -11.080 -6.709 -5.038 1.00 0.00 H new ATOM 0 HA MET A 68 -11.426 -8.101 -2.453 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.025 -8.885 -5.026 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.304 -9.931 -3.647 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.849 -9.140 -3.954 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.326 -8.771 -5.585 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.631 -12.534 -3.272 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.276 -10.961 -2.746 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.382 -12.221 -3.343 1.00 0.00 H new ATOM 1091 N LEU A 69 -9.248 -6.921 -1.629 1.00 0.00 N ATOM 1092 CA LEU A 69 -7.916 -6.463 -1.156 1.00 0.00 C ATOM 1093 C LEU A 69 -7.047 -7.671 -0.790 1.00 0.00 C ATOM 1094 O LEU A 69 -5.837 -7.624 -0.875 1.00 0.00 O ATOM 1095 CB LEU A 69 -8.097 -5.550 0.068 1.00 0.00 C ATOM 1096 CG LEU A 69 -6.735 -5.118 0.627 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -6.112 -6.266 1.423 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -5.798 -4.723 -0.520 1.00 0.00 C ATOM 0 H LEU A 69 -10.022 -6.760 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.420 -5.905 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.677 -4.670 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.663 -6.074 0.839 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.880 -4.260 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.145 -5.953 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.770 -6.536 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.976 -7.129 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.834 -4.418 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.658 -5.575 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.235 -3.895 -1.078 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.645 -8.755 -0.391 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.832 -9.952 -0.030 1.00 0.00 C ATOM 1112 C GLY A 70 -7.746 -11.165 0.119 1.00 0.00 C ATOM 1113 O GLY A 70 -7.729 -12.072 -0.689 1.00 0.00 O ATOM 0 H GLY A 70 -8.655 -8.867 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.083 -10.141 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.295 -9.772 0.901 1.00 0.00 H new ATOM 1117 N ASN A 71 -8.543 -11.190 1.146 1.00 0.00 N ATOM 1118 CA ASN A 71 -9.456 -12.347 1.347 1.00 0.00 C ATOM 1119 C ASN A 71 -10.904 -11.857 1.367 1.00 0.00 C ATOM 1120 O ASN A 71 -11.830 -12.639 1.453 1.00 0.00 O ATOM 1121 CB ASN A 71 -9.123 -13.028 2.677 1.00 0.00 C ATOM 1122 CG ASN A 71 -9.191 -12.001 3.809 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -10.247 -11.752 4.356 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.101 -11.390 4.185 1.00 0.00 N ATOM 0 H ASN A 71 -8.603 -10.460 1.856 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.330 -13.060 0.532 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.824 -13.841 2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.128 -13.470 2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.135 -10.703 4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.215 -11.599 3.726 1.00 0.00 H new ATOM 1131 N SER A 72 -11.113 -10.569 1.291 1.00 0.00 N ATOM 1132 CA SER A 72 -12.507 -10.047 1.308 1.00 0.00 C ATOM 1133 C SER A 72 -12.593 -8.735 0.522 1.00 0.00 C ATOM 1134 O SER A 72 -11.604 -8.213 0.033 1.00 0.00 O ATOM 1135 CB SER A 72 -12.938 -9.800 2.753 1.00 0.00 C ATOM 1136 OG SER A 72 -12.342 -10.777 3.595 1.00 0.00 O ATOM 0 H SER A 72 -10.382 -9.861 1.218 1.00 0.00 H new ATOM 0 HA SER A 72 -13.165 -10.782 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.638 -8.800 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.024 -9.848 2.834 1.00 0.00 H new ATOM 0 HG SER A 72 -11.386 -10.586 3.692 1.00 0.00 H new ATOM 1142 N GLU A 73 -13.778 -8.199 0.405 1.00 0.00 N ATOM 1143 CA GLU A 73 -13.958 -6.921 -0.335 1.00 0.00 C ATOM 1144 C GLU A 73 -13.806 -5.756 0.648 1.00 0.00 C ATOM 1145 O GLU A 73 -14.024 -5.914 1.833 1.00 0.00 O ATOM 1146 CB GLU A 73 -15.355 -6.900 -0.960 1.00 0.00 C ATOM 1147 CG GLU A 73 -15.245 -7.178 -2.460 1.00 0.00 C ATOM 1148 CD GLU A 73 -14.825 -8.633 -2.680 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -14.404 -9.259 -1.720 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -14.932 -9.096 -3.804 1.00 0.00 O ATOM 0 H GLU A 73 -14.634 -8.596 0.794 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.211 -6.830 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.989 -7.649 -0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.826 -5.931 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.201 -6.987 -2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.516 -6.506 -2.913 1.00 0.00 H new ATOM 1157 N PHE A 74 -13.418 -4.592 0.189 1.00 0.00 N ATOM 1158 CA PHE A 74 -13.245 -3.462 1.138 1.00 0.00 C ATOM 1159 C PHE A 74 -14.556 -2.692 1.326 1.00 0.00 C ATOM 1160 O PHE A 74 -15.359 -2.550 0.427 1.00 0.00 O ATOM 1161 CB PHE A 74 -12.138 -2.514 0.640 1.00 0.00 C ATOM 1162 CG PHE A 74 -12.666 -1.474 -0.331 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -13.639 -1.806 -1.277 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -12.162 -0.167 -0.284 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -14.109 -0.838 -2.172 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -12.633 0.801 -1.178 1.00 0.00 C ATOM 1167 CZ PHE A 74 -13.606 0.465 -2.122 1.00 0.00 C ATOM 0 H PHE A 74 -13.217 -4.382 -0.789 1.00 0.00 H new ATOM 0 HA PHE A 74 -12.953 -3.874 2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.681 -2.013 1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.355 -3.096 0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -14.029 -2.812 -1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -11.408 0.094 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -14.861 -1.098 -2.902 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.244 1.808 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.969 1.211 -2.813 1.00 0.00 H new ATOM 1177 N ASP A 75 -14.771 -2.181 2.501 1.00 0.00 N ATOM 1178 CA ASP A 75 -15.999 -1.386 2.746 1.00 0.00 C ATOM 1179 C ASP A 75 -15.686 0.060 2.355 1.00 0.00 C ATOM 1180 O ASP A 75 -16.563 0.890 2.211 1.00 0.00 O ATOM 1181 CB ASP A 75 -16.379 -1.455 4.227 1.00 0.00 C ATOM 1182 CG ASP A 75 -17.876 -1.741 4.358 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -18.461 -2.192 3.387 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -18.412 -1.506 5.429 1.00 0.00 O ATOM 0 H ASP A 75 -14.149 -2.280 3.303 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.835 -1.774 2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.804 -2.236 4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.133 -0.515 4.720 1.00 0.00 H new ATOM 1189 N SER A 76 -14.419 0.355 2.187 1.00 0.00 N ATOM 1190 CA SER A 76 -13.985 1.724 1.811 1.00 0.00 C ATOM 1191 C SER A 76 -12.458 1.719 1.781 1.00 0.00 C ATOM 1192 O SER A 76 -11.829 1.019 2.545 1.00 0.00 O ATOM 1193 CB SER A 76 -14.482 2.731 2.851 1.00 0.00 C ATOM 1194 OG SER A 76 -14.466 2.125 4.136 1.00 0.00 O ATOM 0 H SER A 76 -13.657 -0.314 2.299 1.00 0.00 H new ATOM 0 HA SER A 76 -14.392 2.008 0.841 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.849 3.618 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.492 3.059 2.603 1.00 0.00 H new ATOM 0 HG SER A 76 -14.928 2.705 4.777 1.00 0.00 H new ATOM 1200 N LEU A 77 -11.849 2.464 0.902 1.00 0.00 N ATOM 1201 CA LEU A 77 -10.359 2.449 0.844 1.00 0.00 C ATOM 1202 C LEU A 77 -9.781 3.192 2.046 1.00 0.00 C ATOM 1203 O LEU A 77 -8.648 2.980 2.429 1.00 0.00 O ATOM 1204 CB LEU A 77 -9.880 3.107 -0.449 1.00 0.00 C ATOM 1205 CG LEU A 77 -8.901 2.166 -1.151 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -7.760 1.809 -0.197 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -9.633 0.888 -1.567 1.00 0.00 C ATOM 0 H LEU A 77 -12.310 3.076 0.229 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.016 1.414 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.728 3.322 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.397 4.059 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.495 2.659 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.063 1.138 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.238 2.718 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.165 1.316 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.936 0.216 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.039 0.397 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.447 1.140 -2.247 1.00 0.00 H new ATOM 1219 N VAL A 78 -10.546 4.054 2.654 1.00 0.00 N ATOM 1220 CA VAL A 78 -10.024 4.793 3.835 1.00 0.00 C ATOM 1221 C VAL A 78 -10.130 3.898 5.069 1.00 0.00 C ATOM 1222 O VAL A 78 -9.250 3.868 5.905 1.00 0.00 O ATOM 1223 CB VAL A 78 -10.845 6.067 4.049 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -12.260 5.694 4.493 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -10.182 6.923 5.131 1.00 0.00 C ATOM 0 H VAL A 78 -11.504 4.278 2.386 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.982 5.065 3.668 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.893 6.629 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.845 6.601 4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.733 5.082 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.212 5.132 5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.765 7.831 5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.135 6.359 6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.173 7.189 4.817 1.00 0.00 H new ATOM 1235 N ASP A 79 -11.199 3.159 5.183 1.00 0.00 N ATOM 1236 CA ASP A 79 -11.358 2.256 6.355 1.00 0.00 C ATOM 1237 C ASP A 79 -10.501 1.008 6.141 1.00 0.00 C ATOM 1238 O ASP A 79 -10.155 0.312 7.076 1.00 0.00 O ATOM 1239 CB ASP A 79 -12.826 1.852 6.497 1.00 0.00 C ATOM 1240 CG ASP A 79 -13.032 1.130 7.830 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -12.488 1.589 8.819 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -13.730 0.128 7.837 1.00 0.00 O ATOM 0 H ASP A 79 -11.969 3.142 4.514 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.040 2.771 7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.463 2.735 6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.117 1.203 5.671 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.146 0.728 4.914 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.301 -0.468 4.634 1.00 0.00 C ATOM 1249 C LEU A 80 -7.889 -0.190 5.138 1.00 0.00 C ATOM 1250 O LEU A 80 -7.258 -1.028 5.751 1.00 0.00 O ATOM 1251 CB LEU A 80 -9.269 -0.733 3.122 1.00 0.00 C ATOM 1252 CG LEU A 80 -9.757 -2.156 2.818 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -8.654 -3.157 3.162 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -11.004 -2.470 3.650 1.00 0.00 C ATOM 0 H LEU A 80 -10.405 1.277 4.094 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.711 -1.344 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.898 -0.008 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.255 -0.601 2.745 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.004 -2.230 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.000 -4.168 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.768 -2.942 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.407 -3.076 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.344 -3.482 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.763 -2.392 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.794 -1.760 3.404 1.00 0.00 H new ATOM 1266 N ILE A 81 -7.392 0.990 4.898 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.027 1.329 5.379 1.00 0.00 C ATOM 1268 C ILE A 81 -6.110 1.710 6.863 1.00 0.00 C ATOM 1269 O ILE A 81 -5.135 1.658 7.586 1.00 0.00 O ATOM 1270 CB ILE A 81 -5.464 2.489 4.535 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -3.966 2.269 4.319 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -5.688 3.838 5.231 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -3.763 1.145 3.300 1.00 0.00 C ATOM 0 H ILE A 81 -7.872 1.733 4.390 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.357 0.476 5.273 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.985 2.508 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.499 3.187 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.484 2.012 5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.281 4.638 4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.756 3.999 5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.186 3.836 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.696 0.985 3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.216 0.228 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.231 1.421 2.355 1.00 0.00 H new ATOM 1285 N SER A 82 -7.277 2.086 7.315 1.00 0.00 N ATOM 1286 CA SER A 82 -7.441 2.469 8.746 1.00 0.00 C ATOM 1287 C SER A 82 -7.147 1.261 9.636 1.00 0.00 C ATOM 1288 O SER A 82 -6.282 1.304 10.488 1.00 0.00 O ATOM 1289 CB SER A 82 -8.875 2.942 8.986 1.00 0.00 C ATOM 1290 OG SER A 82 -8.856 4.098 9.813 1.00 0.00 O ATOM 0 H SER A 82 -8.126 2.144 6.752 1.00 0.00 H new ATOM 0 HA SER A 82 -6.747 3.274 8.987 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.359 3.168 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.457 2.151 9.460 1.00 0.00 H new ATOM 0 HG SER A 82 -9.774 4.405 9.967 1.00 0.00 H new ATOM 1296 N TYR A 83 -7.856 0.179 9.449 1.00 0.00 N ATOM 1297 CA TYR A 83 -7.600 -1.023 10.291 1.00 0.00 C ATOM 1298 C TYR A 83 -6.235 -1.610 9.921 1.00 0.00 C ATOM 1299 O TYR A 83 -5.619 -2.320 10.692 1.00 0.00 O ATOM 1300 CB TYR A 83 -8.716 -2.061 10.069 1.00 0.00 C ATOM 1301 CG TYR A 83 -8.387 -2.959 8.894 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -8.625 -2.520 7.587 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -7.845 -4.230 9.118 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -8.322 -3.353 6.503 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -7.542 -5.062 8.034 1.00 0.00 C ATOM 1306 CZ TYR A 83 -7.780 -4.624 6.727 1.00 0.00 C ATOM 1307 OH TYR A 83 -7.482 -5.445 5.659 1.00 0.00 O ATOM 0 H TYR A 83 -8.596 0.077 8.754 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.594 -0.745 11.345 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -8.843 -2.663 10.969 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.663 -1.552 9.890 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.042 -1.539 7.414 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.661 -4.569 10.127 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.506 -3.015 5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.124 -6.043 8.207 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.113 -6.290 5.989 1.00 0.00 H new ATOM 1317 N TYR A 84 -5.759 -1.312 8.743 1.00 0.00 N ATOM 1318 CA TYR A 84 -4.436 -1.840 8.313 1.00 0.00 C ATOM 1319 C TYR A 84 -3.329 -1.083 9.049 1.00 0.00 C ATOM 1320 O TYR A 84 -2.209 -1.544 9.152 1.00 0.00 O ATOM 1321 CB TYR A 84 -4.282 -1.640 6.803 1.00 0.00 C ATOM 1322 CG TYR A 84 -2.849 -1.885 6.402 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -2.179 -3.024 6.861 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -2.191 -0.974 5.568 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -0.851 -3.251 6.488 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -0.862 -1.201 5.194 1.00 0.00 C ATOM 1327 CZ TYR A 84 -0.191 -2.340 5.654 1.00 0.00 C ATOM 1328 OH TYR A 84 1.119 -2.565 5.284 1.00 0.00 O ATOM 0 H TYR A 84 -6.233 -0.723 8.058 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.366 -2.902 8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.942 -2.322 6.267 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.579 -0.628 6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.688 -3.728 7.503 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.709 -0.095 5.213 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.334 -4.130 6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.354 -0.498 4.551 1.00 0.00 H new ATOM 0 HH TYR A 84 1.425 -1.837 4.703 1.00 0.00 H new ATOM 1338 N GLU A 85 -3.635 0.077 9.564 1.00 0.00 N ATOM 1339 CA GLU A 85 -2.604 0.866 10.295 1.00 0.00 C ATOM 1340 C GLU A 85 -2.179 0.109 11.555 1.00 0.00 C ATOM 1341 O GLU A 85 -1.170 0.412 12.161 1.00 0.00 O ATOM 1342 CB GLU A 85 -3.189 2.223 10.691 1.00 0.00 C ATOM 1343 CG GLU A 85 -2.655 3.306 9.752 1.00 0.00 C ATOM 1344 CD GLU A 85 -3.568 4.531 9.812 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -4.710 4.415 9.399 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -3.111 5.564 10.272 1.00 0.00 O ATOM 0 H GLU A 85 -4.556 0.512 9.510 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.737 1.015 9.651 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.277 2.189 10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.923 2.458 11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.640 3.582 10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.606 2.926 8.732 1.00 0.00 H new ATOM 1353 N LYS A 86 -2.939 -0.874 11.954 1.00 0.00 N ATOM 1354 CA LYS A 86 -2.576 -1.648 13.175 1.00 0.00 C ATOM 1355 C LYS A 86 -2.311 -3.107 12.795 1.00 0.00 C ATOM 1356 O LYS A 86 -1.543 -3.796 13.438 1.00 0.00 O ATOM 1357 CB LYS A 86 -3.727 -1.583 14.182 1.00 0.00 C ATOM 1358 CG LYS A 86 -3.717 -0.224 14.884 1.00 0.00 C ATOM 1359 CD LYS A 86 -4.818 -0.188 15.946 1.00 0.00 C ATOM 1360 CE LYS A 86 -6.187 -0.158 15.262 1.00 0.00 C ATOM 1361 NZ LYS A 86 -6.510 1.239 14.859 1.00 0.00 N ATOM 0 H LYS A 86 -3.795 -1.174 11.488 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.678 -1.221 13.622 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.679 -1.734 13.672 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.628 -2.383 14.915 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.746 -0.049 15.346 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.872 0.573 14.157 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.742 -1.062 16.593 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.697 0.690 16.580 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.183 -0.808 14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.952 -0.539 15.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.138 1.225 14.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.985 1.726 15.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.632 1.743 14.620 1.00 0.00 H new ATOM 1375 N HIS A 87 -2.941 -3.583 11.757 1.00 0.00 N ATOM 1376 CA HIS A 87 -2.726 -4.997 11.339 1.00 0.00 C ATOM 1377 C HIS A 87 -1.797 -5.036 10.123 1.00 0.00 C ATOM 1378 O HIS A 87 -1.659 -4.060 9.414 1.00 0.00 O ATOM 1379 CB HIS A 87 -4.070 -5.631 10.975 1.00 0.00 C ATOM 1380 CG HIS A 87 -4.746 -6.121 12.226 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -4.181 -7.090 13.042 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -5.940 -5.786 12.817 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -5.026 -7.302 14.066 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -6.115 -6.532 13.978 1.00 0.00 N ATOM 0 H HIS A 87 -3.595 -3.054 11.180 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.272 -5.553 12.160 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.703 -4.903 10.468 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.918 -6.459 10.282 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.638 -5.054 12.438 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.847 -8.009 14.863 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.904 -6.499 14.623 1.00 0.00 H new ATOM 1392 N PRO A 88 -1.185 -6.174 9.928 1.00 0.00 N ATOM 1393 CA PRO A 88 -0.235 -6.450 8.818 1.00 0.00 C ATOM 1394 C PRO A 88 -0.996 -6.755 7.524 1.00 0.00 C ATOM 1395 O PRO A 88 -2.030 -7.394 7.535 1.00 0.00 O ATOM 1396 CB PRO A 88 0.562 -7.673 9.261 1.00 0.00 C ATOM 1397 CG PRO A 88 -0.308 -8.400 10.292 1.00 0.00 C ATOM 1398 CD PRO A 88 -1.339 -7.379 10.790 1.00 0.00 C ATOM 0 HA PRO A 88 0.409 -5.594 8.616 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.784 -8.321 8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.517 -7.379 9.696 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.801 -9.262 9.844 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.298 -8.773 11.117 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.350 -7.781 10.719 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.167 -7.132 11.838 1.00 0.00 H new ATOM 1406 N LEU A 89 -0.484 -6.309 6.408 1.00 0.00 N ATOM 1407 CA LEU A 89 -1.166 -6.578 5.111 1.00 0.00 C ATOM 1408 C LEU A 89 -0.588 -7.854 4.499 1.00 0.00 C ATOM 1409 O LEU A 89 -1.261 -8.859 4.386 1.00 0.00 O ATOM 1410 CB LEU A 89 -0.937 -5.402 4.160 1.00 0.00 C ATOM 1411 CG LEU A 89 -1.553 -5.719 2.798 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -3.017 -6.124 2.979 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -1.476 -4.479 1.904 1.00 0.00 C ATOM 0 H LEU A 89 0.379 -5.769 6.340 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.236 -6.702 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.383 -4.496 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.131 -5.211 4.052 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.004 -6.539 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.455 -6.350 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.074 -7.006 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.566 -5.305 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.915 -4.703 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.025 -3.660 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.433 -4.189 1.773 1.00 0.00 H new ATOM 1425 N TYR A 90 0.661 -7.830 4.116 1.00 0.00 N ATOM 1426 CA TYR A 90 1.282 -9.050 3.529 1.00 0.00 C ATOM 1427 C TYR A 90 1.550 -10.047 4.664 1.00 0.00 C ATOM 1428 O TYR A 90 0.794 -10.127 5.612 1.00 0.00 O ATOM 1429 CB TYR A 90 2.588 -8.664 2.810 1.00 0.00 C ATOM 1430 CG TYR A 90 3.015 -9.751 1.840 1.00 0.00 C ATOM 1431 CD1 TYR A 90 2.233 -10.906 1.668 1.00 0.00 C ATOM 1432 CD2 TYR A 90 4.207 -9.607 1.122 1.00 0.00 C ATOM 1433 CE1 TYR A 90 2.646 -11.903 0.778 1.00 0.00 C ATOM 1434 CE2 TYR A 90 4.618 -10.607 0.235 1.00 0.00 C ATOM 1435 CZ TYR A 90 3.838 -11.755 0.062 1.00 0.00 C ATOM 1436 OH TYR A 90 4.244 -12.741 -0.814 1.00 0.00 O ATOM 0 H TYR A 90 1.276 -7.019 4.185 1.00 0.00 H new ATOM 0 HA TYR A 90 0.618 -9.510 2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.448 -7.726 2.273 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.376 -8.496 3.544 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.314 -11.024 2.223 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.811 -8.721 1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 90 2.043 -12.789 0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.539 -10.493 -0.317 1.00 0.00 H new ATOM 0 HH TYR A 90 5.092 -12.480 -1.230 1.00 0.00 H new ATOM 1446 N ARG A 91 2.598 -10.812 4.581 1.00 0.00 N ATOM 1447 CA ARG A 91 2.882 -11.802 5.658 1.00 0.00 C ATOM 1448 C ARG A 91 3.593 -11.120 6.830 1.00 0.00 C ATOM 1449 O ARG A 91 3.811 -11.720 7.863 1.00 0.00 O ATOM 1450 CB ARG A 91 3.778 -12.911 5.102 1.00 0.00 C ATOM 1451 CG ARG A 91 2.969 -13.790 4.146 1.00 0.00 C ATOM 1452 CD ARG A 91 2.055 -14.714 4.952 1.00 0.00 C ATOM 1453 NE ARG A 91 2.728 -16.030 5.149 1.00 0.00 N ATOM 1454 CZ ARG A 91 2.283 -16.861 6.051 1.00 0.00 C ATOM 1455 NH1 ARG A 91 2.389 -16.568 7.317 1.00 0.00 N ATOM 1456 NH2 ARG A 91 1.729 -17.985 5.684 1.00 0.00 N ATOM 0 H ARG A 91 3.272 -10.797 3.815 1.00 0.00 H new ATOM 0 HA ARG A 91 1.940 -12.224 6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.631 -12.477 4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.177 -13.514 5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.375 -13.167 3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.640 -14.379 3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.824 -14.263 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.108 -14.852 4.430 1.00 0.00 H new ATOM 0 HE ARG A 91 3.536 -16.280 4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.820 -15.689 7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.041 -17.218 8.022 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.645 -18.212 4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.381 -18.636 6.388 1.00 0.00 H new ATOM 1470 N LYS A 92 3.960 -9.874 6.688 1.00 0.00 N ATOM 1471 CA LYS A 92 4.655 -9.182 7.811 1.00 0.00 C ATOM 1472 C LYS A 92 4.607 -7.665 7.611 1.00 0.00 C ATOM 1473 O LYS A 92 4.272 -6.926 8.514 1.00 0.00 O ATOM 1474 CB LYS A 92 6.114 -9.644 7.869 1.00 0.00 C ATOM 1475 CG LYS A 92 6.832 -9.243 6.580 1.00 0.00 C ATOM 1476 CD LYS A 92 8.104 -10.077 6.421 1.00 0.00 C ATOM 1477 CE LYS A 92 7.729 -11.546 6.216 1.00 0.00 C ATOM 1478 NZ LYS A 92 8.355 -12.373 7.287 1.00 0.00 N ATOM 0 H LYS A 92 3.810 -9.310 5.851 1.00 0.00 H new ATOM 0 HA LYS A 92 4.152 -9.431 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.613 -9.198 8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.158 -10.725 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.175 -9.396 5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.081 -8.182 6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.684 -9.717 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.734 -9.971 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.645 -11.662 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.066 -11.885 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.100 -13.372 7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.389 -12.270 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.013 -12.055 8.216 1.00 0.00 H new ATOM 1492 N MET A 93 4.940 -7.190 6.444 1.00 0.00 N ATOM 1493 CA MET A 93 4.914 -5.717 6.205 1.00 0.00 C ATOM 1494 C MET A 93 3.565 -5.145 6.652 1.00 0.00 C ATOM 1495 O MET A 93 2.536 -5.769 6.493 1.00 0.00 O ATOM 1496 CB MET A 93 5.114 -5.441 4.714 1.00 0.00 C ATOM 1497 CG MET A 93 6.607 -5.290 4.417 1.00 0.00 C ATOM 1498 SD MET A 93 7.404 -6.913 4.487 1.00 0.00 S ATOM 1499 CE MET A 93 6.871 -7.500 2.860 1.00 0.00 C ATOM 0 H MET A 93 5.229 -7.755 5.646 1.00 0.00 H new ATOM 0 HA MET A 93 5.713 -5.244 6.776 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.696 -6.256 4.123 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.582 -4.534 4.427 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.749 -4.845 3.432 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.066 -4.616 5.140 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.071 -8.568 2.775 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.803 -7.321 2.741 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.418 -6.965 2.083 1.00 0.00 H new ATOM 1509 N LYS A 94 3.559 -3.958 7.204 1.00 0.00 N ATOM 1510 CA LYS A 94 2.272 -3.349 7.650 1.00 0.00 C ATOM 1511 C LYS A 94 2.376 -1.828 7.548 1.00 0.00 C ATOM 1512 O LYS A 94 3.274 -1.297 6.923 1.00 0.00 O ATOM 1513 CB LYS A 94 1.978 -3.723 9.110 1.00 0.00 C ATOM 1514 CG LYS A 94 2.747 -4.986 9.504 1.00 0.00 C ATOM 1515 CD LYS A 94 2.660 -5.175 11.021 1.00 0.00 C ATOM 1516 CE LYS A 94 3.573 -6.324 11.453 1.00 0.00 C ATOM 1517 NZ LYS A 94 4.314 -5.935 12.685 1.00 0.00 N ATOM 0 H LYS A 94 4.388 -3.386 7.364 1.00 0.00 H new ATOM 0 HA LYS A 94 1.469 -3.722 7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.259 -2.899 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.908 -3.885 9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.331 -5.854 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.789 -4.903 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.952 -4.256 11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.631 -5.387 11.312 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.983 -7.221 11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.275 -6.564 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.934 -6.716 12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.889 -5.090 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.637 -5.726 13.446 1.00 0.00 H new ATOM 1531 N LEU A 95 1.474 -1.122 8.170 1.00 0.00 N ATOM 1532 CA LEU A 95 1.531 0.364 8.124 1.00 0.00 C ATOM 1533 C LEU A 95 2.334 0.861 9.325 1.00 0.00 C ATOM 1534 O LEU A 95 2.103 1.936 9.843 1.00 0.00 O ATOM 1535 CB LEU A 95 0.114 0.936 8.185 1.00 0.00 C ATOM 1536 CG LEU A 95 -0.095 1.910 7.026 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -1.434 1.619 6.346 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -0.101 3.342 7.563 1.00 0.00 C ATOM 0 H LEU A 95 0.700 -1.511 8.708 1.00 0.00 H new ATOM 0 HA LEU A 95 2.006 0.688 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.617 0.130 8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.043 1.446 9.135 1.00 0.00 H new ATOM 0 HG LEU A 95 0.712 1.792 6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.581 2.315 5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.434 0.598 5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.242 1.737 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.250 4.039 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.909 3.456 8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.852 3.553 8.049 1.00 0.00 H new ATOM 1550 N ARG A 96 3.276 0.079 9.771 1.00 0.00 N ATOM 1551 CA ARG A 96 4.101 0.489 10.939 1.00 0.00 C ATOM 1552 C ARG A 96 5.370 1.184 10.445 1.00 0.00 C ATOM 1553 O ARG A 96 6.275 1.455 11.209 1.00 0.00 O ATOM 1554 CB ARG A 96 4.481 -0.749 11.751 1.00 0.00 C ATOM 1555 CG ARG A 96 3.881 -0.643 13.155 1.00 0.00 C ATOM 1556 CD ARG A 96 3.705 -2.045 13.738 1.00 0.00 C ATOM 1557 NE ARG A 96 3.463 -1.946 15.205 1.00 0.00 N ATOM 1558 CZ ARG A 96 2.993 -2.972 15.859 1.00 0.00 C ATOM 1559 NH1 ARG A 96 1.751 -3.338 15.695 1.00 0.00 N ATOM 1560 NH2 ARG A 96 3.765 -3.634 16.678 1.00 0.00 N ATOM 0 H ARG A 96 3.511 -0.831 9.374 1.00 0.00 H new ATOM 0 HA ARG A 96 3.531 1.175 11.566 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.116 -1.648 11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.566 -0.837 11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.532 -0.049 13.797 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.920 -0.131 13.114 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.869 -2.549 13.254 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.594 -2.645 13.545 1.00 0.00 H new ATOM 0 HE ARG A 96 3.665 -1.076 15.698 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.147 -2.822 15.055 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.384 -4.140 16.207 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.736 -3.349 16.806 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.397 -4.436 17.189 1.00 0.00 H new ATOM 1574 N TYR A 97 5.449 1.467 9.172 1.00 0.00 N ATOM 1575 CA TYR A 97 6.664 2.141 8.636 1.00 0.00 C ATOM 1576 C TYR A 97 6.294 3.524 8.089 1.00 0.00 C ATOM 1577 O TYR A 97 6.009 3.673 6.916 1.00 0.00 O ATOM 1578 CB TYR A 97 7.259 1.295 7.511 1.00 0.00 C ATOM 1579 CG TYR A 97 7.925 0.073 8.097 1.00 0.00 C ATOM 1580 CD1 TYR A 97 9.230 0.158 8.596 1.00 0.00 C ATOM 1581 CD2 TYR A 97 7.238 -1.146 8.139 1.00 0.00 C ATOM 1582 CE1 TYR A 97 9.848 -0.975 9.139 1.00 0.00 C ATOM 1583 CE2 TYR A 97 7.856 -2.280 8.682 1.00 0.00 C ATOM 1584 CZ TYR A 97 9.161 -2.194 9.182 1.00 0.00 C ATOM 1585 OH TYR A 97 9.771 -3.310 9.716 1.00 0.00 O ATOM 0 H TYR A 97 4.726 1.261 8.483 1.00 0.00 H new ATOM 0 HA TYR A 97 7.394 2.254 9.437 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.476 0.996 6.814 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.983 1.881 6.945 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.761 1.098 8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.232 -1.212 7.753 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.855 -0.909 9.525 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.326 -3.220 8.715 1.00 0.00 H new ATOM 0 HH TYR A 97 9.157 -4.072 9.670 1.00 0.00 H new ATOM 1595 N PRO A 98 6.319 4.496 8.963 1.00 0.00 N ATOM 1596 CA PRO A 98 6.008 5.918 8.662 1.00 0.00 C ATOM 1597 C PRO A 98 7.223 6.588 8.012 1.00 0.00 C ATOM 1598 O PRO A 98 8.109 5.929 7.504 1.00 0.00 O ATOM 1599 CB PRO A 98 5.705 6.564 10.010 1.00 0.00 C ATOM 1600 CG PRO A 98 6.399 5.696 11.064 1.00 0.00 C ATOM 1601 CD PRO A 98 6.658 4.335 10.405 1.00 0.00 C ATOM 0 HA PRO A 98 5.170 6.018 7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.076 7.588 10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.631 6.608 10.188 1.00 0.00 H new ATOM 0 HG2 PRO A 98 7.333 6.154 11.389 1.00 0.00 H new ATOM 0 HG3 PRO A 98 5.773 5.586 11.949 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.699 4.035 10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.046 3.558 10.864 1.00 0.00 H new ATOM 1609 N ILE A 99 7.274 7.892 8.025 1.00 0.00 N ATOM 1610 CA ILE A 99 8.434 8.597 7.409 1.00 0.00 C ATOM 1611 C ILE A 99 8.967 9.650 8.384 1.00 0.00 C ATOM 1612 O ILE A 99 8.867 10.837 8.146 1.00 0.00 O ATOM 1613 CB ILE A 99 7.989 9.280 6.115 1.00 0.00 C ATOM 1614 CG1 ILE A 99 7.613 8.215 5.081 1.00 0.00 C ATOM 1615 CG2 ILE A 99 9.135 10.135 5.570 1.00 0.00 C ATOM 1616 CD1 ILE A 99 6.101 8.245 4.846 1.00 0.00 C ATOM 0 H ILE A 99 6.564 8.499 8.435 1.00 0.00 H new ATOM 0 HA ILE A 99 9.220 7.876 7.186 1.00 0.00 H new ATOM 0 HB ILE A 99 7.126 9.914 6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.141 8.399 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.918 7.229 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.819 10.622 4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.406 10.892 6.306 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.998 9.501 5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.832 7.487 4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.583 8.041 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.810 9.228 4.477 1.00 0.00 H new ATOM 1628 N ASN A 100 9.536 9.226 9.480 1.00 0.00 N ATOM 1629 CA ASN A 100 10.075 10.204 10.467 1.00 0.00 C ATOM 1630 C ASN A 100 11.431 9.717 10.984 1.00 0.00 C ATOM 1631 O ASN A 100 11.997 10.285 11.897 1.00 0.00 O ATOM 1632 CB ASN A 100 9.101 10.339 11.639 1.00 0.00 C ATOM 1633 CG ASN A 100 9.146 9.067 12.488 1.00 0.00 C ATOM 1634 OD1 ASN A 100 9.995 8.924 13.346 1.00 0.00 O ATOM 1635 ND2 ASN A 100 8.259 8.131 12.285 1.00 0.00 N ATOM 0 H ASN A 100 9.651 8.245 9.734 1.00 0.00 H new ATOM 0 HA ASN A 100 10.198 11.173 9.984 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.365 11.204 12.247 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.090 10.506 11.268 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.278 7.280 12.846 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.547 8.251 11.565 1.00 0.00 H new ATOM 1642 N GLU A 101 11.955 8.670 10.408 1.00 0.00 N ATOM 1643 CA GLU A 101 13.274 8.149 10.869 1.00 0.00 C ATOM 1644 C GLU A 101 14.375 8.637 9.926 1.00 0.00 C ATOM 1645 O GLU A 101 15.197 7.869 9.468 1.00 0.00 O ATOM 1646 CB GLU A 101 13.245 6.620 10.872 1.00 0.00 C ATOM 1647 CG GLU A 101 13.145 6.109 9.433 1.00 0.00 C ATOM 1648 CD GLU A 101 14.270 5.107 9.167 1.00 0.00 C ATOM 1649 OE1 GLU A 101 15.329 5.535 8.739 1.00 0.00 O ATOM 1650 OE2 GLU A 101 14.054 3.928 9.396 1.00 0.00 O ATOM 0 H GLU A 101 11.528 8.153 9.639 1.00 0.00 H new ATOM 0 HA GLU A 101 13.475 8.511 11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 101 14.145 6.229 11.346 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.397 6.263 11.456 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.177 5.636 9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.214 6.943 8.734 1.00 0.00 H new ATOM 1657 N GLU A 102 14.398 9.909 9.632 1.00 0.00 N ATOM 1658 CA GLU A 102 15.448 10.441 8.719 1.00 0.00 C ATOM 1659 C GLU A 102 15.331 11.964 8.640 1.00 0.00 C ATOM 1660 O GLU A 102 16.227 12.687 9.032 1.00 0.00 O ATOM 1661 CB GLU A 102 15.261 9.843 7.322 1.00 0.00 C ATOM 1662 CG GLU A 102 16.422 8.895 7.014 1.00 0.00 C ATOM 1663 CD GLU A 102 17.356 9.544 5.991 1.00 0.00 C ATOM 1664 OE1 GLU A 102 16.940 9.699 4.854 1.00 0.00 O ATOM 1665 OE2 GLU A 102 18.469 9.876 6.363 1.00 0.00 O ATOM 0 H GLU A 102 13.736 10.601 9.984 1.00 0.00 H new ATOM 0 HA GLU A 102 16.432 10.171 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 102 14.314 9.305 7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 102 15.219 10.638 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 102 16.970 8.666 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 102 16.041 7.951 6.626 1.00 0.00 H new ATOM 1672 N ASN A 103 14.235 12.460 8.137 1.00 0.00 N ATOM 1673 CA ASN A 103 14.063 13.937 8.034 1.00 0.00 C ATOM 1674 C ASN A 103 12.590 14.295 8.243 1.00 0.00 C ATOM 1675 O ASN A 103 11.747 14.001 7.419 1.00 0.00 O ATOM 1676 CB ASN A 103 14.511 14.406 6.648 1.00 0.00 C ATOM 1677 CG ASN A 103 14.053 13.396 5.595 1.00 0.00 C ATOM 1678 OD1 ASN A 103 12.924 13.435 5.150 1.00 0.00 O ATOM 1679 ND2 ASN A 103 14.888 12.485 5.175 1.00 0.00 N ATOM 0 H ASN A 103 13.450 11.907 7.793 1.00 0.00 H new ATOM 0 HA ASN A 103 14.667 14.428 8.797 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.091 15.388 6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.596 14.510 6.620 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.592 11.806 4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.837 12.452 5.548 1.00 0.00 H new ATOM 1686 N SER A 104 12.275 14.930 9.339 1.00 0.00 N ATOM 1687 CA SER A 104 10.858 15.308 9.599 1.00 0.00 C ATOM 1688 C SER A 104 10.816 16.630 10.369 1.00 0.00 C ATOM 1689 O SER A 104 11.744 16.980 11.070 1.00 0.00 O ATOM 1690 CB SER A 104 10.184 14.214 10.427 1.00 0.00 C ATOM 1691 OG SER A 104 10.359 14.496 11.809 1.00 0.00 O ATOM 0 H SER A 104 12.938 15.203 10.065 1.00 0.00 H new ATOM 0 HA SER A 104 10.332 15.423 8.651 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.122 14.162 10.186 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.614 13.242 10.185 1.00 0.00 H new ATOM 0 HG SER A 104 9.927 13.797 12.343 1.00 0.00 H new ATOM 1697 N SER A 105 9.747 17.367 10.241 1.00 0.00 N ATOM 1698 CA SER A 105 9.647 18.665 10.965 1.00 0.00 C ATOM 1699 C SER A 105 8.856 18.468 12.260 1.00 0.00 C ATOM 1700 O SER A 105 7.715 18.043 12.175 1.00 0.00 O ATOM 1701 CB SER A 105 8.932 19.688 10.081 1.00 0.00 C ATOM 1702 OG SER A 105 9.809 20.104 9.042 1.00 0.00 O ATOM 1703 OXT SER A 105 9.405 18.744 13.314 1.00 0.00 O ATOM 0 H SER A 105 8.939 17.126 9.667 1.00 0.00 H new ATOM 0 HA SER A 105 10.648 19.026 11.202 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.028 19.251 9.657 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.622 20.547 10.676 1.00 0.00 H new ATOM 0 HG SER A 105 9.354 20.759 8.472 1.00 0.00 H new TER 1709 SER A 105 ATOM 1710 N ASP B 1 14.132 -9.961 -5.851 1.00 0.00 N ATOM 1711 CA ASP B 1 12.979 -10.058 -6.788 1.00 0.00 C ATOM 1712 C ASP B 1 12.319 -8.685 -6.927 1.00 0.00 C ATOM 1713 O ASP B 1 12.192 -8.154 -8.013 1.00 0.00 O ATOM 1714 CB ASP B 1 11.961 -11.061 -6.244 1.00 0.00 C ATOM 1715 CG ASP B 1 12.678 -12.355 -5.852 1.00 0.00 C ATOM 1716 OD1 ASP B 1 13.259 -12.387 -4.781 1.00 0.00 O ATOM 1717 OD2 ASP B 1 12.633 -13.293 -6.633 1.00 0.00 O ATOM 0 H1 ASP B 1 15.002 -10.251 -6.340 1.00 0.00 H new ATOM 0 H2 ASP B 1 14.231 -8.979 -5.522 1.00 0.00 H new ATOM 0 H3 ASP B 1 13.969 -10.585 -5.035 1.00 0.00 H new ATOM 0 HA ASP B 1 13.331 -10.393 -7.764 1.00 0.00 H new ATOM 0 HB2 ASP B 1 11.447 -10.641 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP B 1 11.200 -11.268 -6.997 1.00 0.00 H new ATOM 1724 N ASN B 2 11.899 -8.105 -5.835 1.00 0.00 N ATOM 1725 CA ASN B 2 11.248 -6.766 -5.906 1.00 0.00 C ATOM 1726 C ASN B 2 10.131 -6.798 -6.952 1.00 0.00 C ATOM 1727 O ASN B 2 10.331 -6.449 -8.098 1.00 0.00 O ATOM 1728 CB ASN B 2 12.286 -5.714 -6.303 1.00 0.00 C ATOM 1729 CG ASN B 2 13.543 -5.886 -5.448 1.00 0.00 C ATOM 1730 OD1 ASN B 2 13.456 -6.194 -4.275 1.00 0.00 O ATOM 1731 ND2 ASN B 2 14.716 -5.698 -5.988 1.00 0.00 N ATOM 0 H ASN B 2 11.979 -8.500 -4.898 1.00 0.00 H new ATOM 0 HA ASN B 2 10.829 -6.514 -4.932 1.00 0.00 H new ATOM 0 HB2 ASN B 2 12.536 -5.815 -7.359 1.00 0.00 H new ATOM 0 HB3 ASN B 2 11.875 -4.714 -6.167 1.00 0.00 H new ATOM 0 HD21 ASN B 2 15.560 -5.809 -5.426 1.00 0.00 H new ATOM 0 HD22 ASN B 2 14.789 -5.440 -6.972 1.00 0.00 H new ATOM 1738 N ASP B 3 8.956 -7.215 -6.568 1.00 0.00 N ATOM 1739 CA ASP B 3 7.832 -7.268 -7.545 1.00 0.00 C ATOM 1740 C ASP B 3 6.496 -7.178 -6.805 1.00 0.00 C ATOM 1741 O ASP B 3 6.438 -6.850 -5.636 1.00 0.00 O ATOM 1742 CB ASP B 3 7.895 -8.585 -8.322 1.00 0.00 C ATOM 1743 CG ASP B 3 9.228 -8.679 -9.066 1.00 0.00 C ATOM 1744 OD1 ASP B 3 9.442 -7.879 -9.961 1.00 0.00 O ATOM 1745 OD2 ASP B 3 10.012 -9.552 -8.728 1.00 0.00 O ATOM 0 H ASP B 3 8.726 -7.521 -5.622 1.00 0.00 H new ATOM 0 HA ASP B 3 7.917 -6.430 -8.236 1.00 0.00 H new ATOM 0 HB2 ASP B 3 7.788 -9.427 -7.639 1.00 0.00 H new ATOM 0 HB3 ASP B 3 7.068 -8.642 -9.029 1.00 0.00 H new HETATM 1750 N PTR B 4 5.422 -7.461 -7.488 1.00 0.00 N HETATM 1751 CA PTR B 4 4.078 -7.391 -6.845 1.00 0.00 C HETATM 1752 C PTR B 4 3.940 -8.493 -5.793 1.00 0.00 C HETATM 1753 O PTR B 4 4.324 -9.625 -6.012 1.00 0.00 O HETATM 1754 CB PTR B 4 2.999 -7.584 -7.912 1.00 0.00 C HETATM 1755 CG PTR B 4 2.565 -6.242 -8.449 1.00 0.00 C HETATM 1756 CD1 PTR B 4 3.441 -5.151 -8.410 1.00 0.00 C HETATM 1757 CD2 PTR B 4 1.283 -6.090 -8.987 1.00 0.00 C HETATM 1758 CE1 PTR B 4 3.032 -3.909 -8.909 1.00 0.00 C HETATM 1759 CE2 PTR B 4 0.875 -4.849 -9.488 1.00 0.00 C HETATM 1760 CZ PTR B 4 1.750 -3.758 -9.449 1.00 0.00 C HETATM 1761 OH PTR B 4 1.332 -2.481 -9.966 1.00 0.00 O HETATM 1762 P PTR B 4 1.892 -1.950 -11.403 1.00 0.00 P HETATM 1763 O1P PTR B 4 1.534 -0.474 -11.468 1.00 0.00 O HETATM 1764 O2P PTR B 4 3.392 -2.194 -11.381 1.00 0.00 O HETATM 1765 O3P PTR B 4 1.175 -2.777 -12.457 1.00 0.00 O HETATM 0 HE2 PTR B 4 -0.124 -4.732 -9.908 1.00 0.00 H new HETATM 0 HE1 PTR B 4 3.713 -3.058 -8.877 1.00 0.00 H new HETATM 0 HD2 PTR B 4 0.601 -6.940 -9.016 1.00 0.00 H new HETATM 0 HD1 PTR B 4 4.441 -5.269 -7.991 1.00 0.00 H new HETATM 0 HB3 PTR B 4 3.383 -8.203 -8.723 1.00 0.00 H new HETATM 0 HB2 PTR B 4 2.144 -8.110 -7.487 1.00 0.00 H new HETATM 0 HA PTR B 4 3.963 -6.419 -6.365 1.00 0.00 H new ATOM 1774 N ILE B 5 3.385 -8.173 -4.655 1.00 0.00 N ATOM 1775 CA ILE B 5 3.212 -9.202 -3.595 1.00 0.00 C ATOM 1776 C ILE B 5 1.724 -9.336 -3.255 1.00 0.00 C ATOM 1777 O ILE B 5 0.974 -8.383 -3.322 1.00 0.00 O ATOM 1778 CB ILE B 5 4.015 -8.797 -2.340 1.00 0.00 C ATOM 1779 CG1 ILE B 5 3.138 -8.031 -1.333 1.00 0.00 C ATOM 1780 CG2 ILE B 5 5.191 -7.907 -2.735 1.00 0.00 C ATOM 1781 CD1 ILE B 5 2.802 -6.645 -1.889 1.00 0.00 C ATOM 0 H ILE B 5 3.044 -7.242 -4.415 1.00 0.00 H new ATOM 0 HA ILE B 5 3.583 -10.163 -3.952 1.00 0.00 H new ATOM 0 HB ILE B 5 4.373 -9.714 -1.872 1.00 0.00 H new ATOM 0 HG12 ILE B 5 2.221 -8.587 -1.138 1.00 0.00 H new ATOM 0 HG13 ILE B 5 3.660 -7.935 -0.381 1.00 0.00 H new ATOM 0 HG21 ILE B 5 5.751 -7.627 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE B 5 5.845 -8.450 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE B 5 4.818 -7.008 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE B 5 2.181 -6.106 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE B 5 3.723 -6.089 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE B 5 2.262 -6.752 -2.830 1.00 0.00 H new ATOM 1793 N ILE B 6 1.295 -10.503 -2.865 1.00 0.00 N ATOM 1794 CA ILE B 6 -0.136 -10.672 -2.493 1.00 0.00 C ATOM 1795 C ILE B 6 -0.311 -10.165 -1.059 1.00 0.00 C ATOM 1796 O ILE B 6 0.296 -10.686 -0.147 1.00 0.00 O ATOM 1797 CB ILE B 6 -0.519 -12.152 -2.569 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -0.646 -12.568 -4.039 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -1.857 -12.367 -1.859 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -1.355 -13.921 -4.132 1.00 0.00 C ATOM 0 H ILE B 6 1.869 -11.342 -2.788 1.00 0.00 H new ATOM 0 HA ILE B 6 -0.776 -10.112 -3.176 1.00 0.00 H new ATOM 0 HB ILE B 6 0.249 -12.755 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -1.205 -11.814 -4.593 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.342 -12.632 -4.496 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -2.132 -13.420 -1.912 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -1.767 -12.067 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -2.627 -11.766 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.444 -14.214 -5.178 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.778 -14.672 -3.592 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.349 -13.842 -3.692 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.119 -9.149 -0.902 1.00 0.00 N ATOM 1813 CA PRO B 7 -1.402 -8.502 0.405 1.00 0.00 C ATOM 1814 C PRO B 7 -2.333 -9.374 1.251 1.00 0.00 C ATOM 1815 O PRO B 7 -3.514 -9.114 1.370 1.00 0.00 O ATOM 1816 CB PRO B 7 -2.053 -7.163 0.072 1.00 0.00 C ATOM 1817 CG PRO B 7 -2.636 -7.312 -1.335 1.00 0.00 C ATOM 1818 CD PRO B 7 -1.894 -8.486 -1.989 1.00 0.00 C ATOM 0 HA PRO B 7 -0.494 -8.365 0.992 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -2.833 -6.919 0.793 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -1.322 -6.355 0.107 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -3.708 -7.505 -1.293 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -2.499 -6.397 -1.911 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -2.596 -9.183 -2.447 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -1.232 -8.135 -2.780 1.00 0.00 H new ATOM 1826 N LEU B 8 -1.796 -10.401 1.849 1.00 0.00 N ATOM 1827 CA LEU B 8 -2.622 -11.297 2.705 1.00 0.00 C ATOM 1828 C LEU B 8 -1.948 -11.418 4.074 1.00 0.00 C ATOM 1829 O LEU B 8 -0.740 -11.520 4.158 1.00 0.00 O ATOM 1830 CB LEU B 8 -2.716 -12.679 2.055 1.00 0.00 C ATOM 1831 CG LEU B 8 -4.185 -13.047 1.844 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -4.760 -12.217 0.694 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -4.292 -14.534 1.500 1.00 0.00 C ATOM 0 H LEU B 8 -0.812 -10.660 1.780 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.626 -10.888 2.818 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.190 -12.680 1.101 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -2.231 -13.423 2.687 1.00 0.00 H new ATOM 0 HG LEU B 8 -4.745 -12.842 2.756 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -5.807 -12.480 0.544 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -4.683 -11.157 0.936 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -4.200 -12.422 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -5.339 -14.798 1.349 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -3.731 -14.738 0.588 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.882 -15.127 2.318 1.00 0.00 H new ATOM 1845 N PRO B 9 -2.748 -11.392 5.103 1.00 0.00 N ATOM 1846 CA PRO B 9 -2.300 -11.484 6.518 1.00 0.00 C ATOM 1847 C PRO B 9 -1.972 -12.934 6.878 1.00 0.00 C ATOM 1848 O PRO B 9 -2.587 -13.860 6.390 1.00 0.00 O ATOM 1849 CB PRO B 9 -3.473 -10.974 7.352 1.00 0.00 C ATOM 1850 CG PRO B 9 -4.723 -11.152 6.483 1.00 0.00 C ATOM 1851 CD PRO B 9 -4.231 -11.274 5.034 1.00 0.00 C ATOM 0 HA PRO B 9 -1.397 -10.901 6.698 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -3.562 -11.535 8.282 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -3.333 -9.928 7.623 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -5.279 -12.041 6.780 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -5.397 -10.303 6.594 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -4.668 -12.146 4.547 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -4.525 -10.402 4.449 1.00 0.00 H new ATOM 1859 N ASP B 10 -1.003 -13.135 7.731 1.00 0.00 N ATOM 1860 CA ASP B 10 -0.630 -14.523 8.124 1.00 0.00 C ATOM 1861 C ASP B 10 -1.890 -15.293 8.525 1.00 0.00 C ATOM 1862 O ASP B 10 -2.836 -14.718 9.025 1.00 0.00 O ATOM 1863 CB ASP B 10 0.337 -14.474 9.309 1.00 0.00 C ATOM 1864 CG ASP B 10 1.652 -13.831 8.867 1.00 0.00 C ATOM 1865 OD1 ASP B 10 1.596 -12.838 8.160 1.00 0.00 O ATOM 1866 OD2 ASP B 10 2.694 -14.341 9.245 1.00 0.00 O ATOM 0 H ASP B 10 -0.454 -12.397 8.172 1.00 0.00 H new ATOM 0 HA ASP B 10 -0.149 -15.024 7.284 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.102 -13.903 10.127 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.520 -15.481 9.685 1.00 0.00 H new ATOM 1871 N PRO B 11 -1.857 -16.575 8.289 1.00 0.00 N ATOM 1872 CA PRO B 11 -2.960 -17.521 8.593 1.00 0.00 C ATOM 1873 C PRO B 11 -2.957 -17.873 10.083 1.00 0.00 C ATOM 1874 O PRO B 11 -1.920 -17.939 10.712 1.00 0.00 O ATOM 1875 CB PRO B 11 -2.678 -18.762 7.751 1.00 0.00 C ATOM 1876 CG PRO B 11 -1.176 -18.742 7.451 1.00 0.00 C ATOM 1877 CD PRO B 11 -0.707 -17.298 7.677 1.00 0.00 C ATOM 0 HA PRO B 11 -3.937 -17.094 8.365 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -2.956 -19.669 8.289 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -3.259 -18.747 6.829 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -0.640 -19.431 8.104 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -0.981 -19.058 6.426 1.00 0.00 H new ATOM 0 HD2 PRO B 11 0.163 -17.270 8.333 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -0.412 -16.833 6.736 1.00 0.00 H new ATOM 1885 N LYS B 12 -4.109 -18.100 10.651 1.00 0.00 N ATOM 1886 CA LYS B 12 -4.171 -18.447 12.098 1.00 0.00 C ATOM 1887 C LYS B 12 -3.264 -19.650 12.374 1.00 0.00 C ATOM 1888 O LYS B 12 -3.221 -20.537 11.537 1.00 0.00 O ATOM 1889 CB LYS B 12 -5.612 -18.796 12.479 1.00 0.00 C ATOM 1890 CG LYS B 12 -6.185 -19.780 11.457 1.00 0.00 C ATOM 1891 CD LYS B 12 -6.851 -20.946 12.190 1.00 0.00 C ATOM 1892 CE LYS B 12 -6.295 -22.268 11.659 1.00 0.00 C ATOM 1893 NZ LYS B 12 -6.101 -23.217 12.791 1.00 0.00 N ATOM 1894 OXT LYS B 12 -2.630 -19.663 13.415 1.00 0.00 O ATOM 0 H LYS B 12 -5.010 -18.060 10.175 1.00 0.00 H new ATOM 0 HA LYS B 12 -3.835 -17.595 12.690 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -5.640 -19.234 13.477 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -6.220 -17.892 12.510 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -6.910 -19.276 10.818 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -5.391 -20.150 10.808 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.669 -20.867 13.262 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -7.931 -20.910 12.047 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -6.980 -22.695 10.926 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -5.348 -22.097 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.723 -24.116 12.430 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.431 -22.810 13.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -7.013 -23.389 13.260 1.00 0.00 H new TER 1908 LYS B 12