USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 873 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc=-0.00815 USER MOD Set 1.2: A 145 THR OG1 : rot 180:sc=-0.00283 USER MOD Set 2.1: A 115 THR OG1 : rot 146:sc= 1.02 USER MOD Set 2.2: A 138 CYS SG : rot -160:sc= 1.05 USER MOD Set 3.1: A 111 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 142 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 102 SER OG : rot -19:sc= 0.314 USER MOD Set 4.2: A 106 MET CE :methyl -173:sc= 0 (180deg=-0.0208) USER MOD Set 5.1: A 71 GLN : amide:sc= -0.0458 X(o=-0.046,f=-0.18) USER MOD Set 5.2: A 73 SER OG : rot 59:sc= 0 USER MOD Set 6.1: A 47 LYS NZ :NH3+ -158:sc= 1.05 (180deg=0.139!) USER MOD Set 6.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -99:sc= 0.752 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00988 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot -46:sc= -0.143 USER MOD Single : A 97 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.0051) USER MOD Single : A 113 MET CE :methyl -179:sc= -0.0634 (180deg=-0.0657) USER MOD Single : A 118 SER OG : rot 43:sc= 0.197 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= -0.511 USER MOD Single : A 122 TYR OH : rot -26:sc= 0.393 USER MOD Single : A 125 GLN : amide:sc= -0.075 X(o=-0.075,f=-0.075) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ -148:sc= 0.879 (180deg=0.156!) USER MOD ----------------------------------------------------------------- ATOM 42 N GLU A 35 -6.960 21.085 -2.666 1.00 0.00 N ATOM 43 CA GLU A 35 -5.514 20.734 -2.563 1.00 0.00 C ATOM 44 C GLU A 35 -5.181 19.296 -3.081 1.00 0.00 C ATOM 45 O GLU A 35 -6.052 18.436 -3.275 1.00 0.00 O ATOM 46 CB GLU A 35 -5.041 20.957 -1.087 1.00 0.00 C ATOM 47 CG GLU A 35 -5.622 20.004 -0.004 1.00 0.00 C ATOM 48 CD GLU A 35 -4.970 20.144 1.359 1.00 0.00 C ATOM 49 OE1 GLU A 35 -5.454 20.954 2.176 1.00 0.00 O ATOM 50 OE2 GLU A 35 -3.980 19.429 1.623 1.00 0.00 O ATOM 0 HA GLU A 35 -4.958 21.396 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.955 20.873 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.287 21.980 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.691 20.193 0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.511 18.974 -0.344 1.00 0.00 H new ATOM 57 N TRP A 36 -3.867 19.024 -3.202 1.00 0.00 N ATOM 58 CA TRP A 36 -3.321 17.643 -3.115 1.00 0.00 C ATOM 59 C TRP A 36 -3.231 17.255 -1.610 1.00 0.00 C ATOM 60 O TRP A 36 -2.513 17.900 -0.835 1.00 0.00 O ATOM 61 CB TRP A 36 -1.932 17.564 -3.800 1.00 0.00 C ATOM 62 CG TRP A 36 -1.964 17.520 -5.334 1.00 0.00 C ATOM 63 CD1 TRP A 36 -1.905 18.627 -6.206 1.00 0.00 C ATOM 64 CD2 TRP A 36 -2.093 16.410 -6.152 1.00 0.00 C ATOM 65 NE1 TRP A 36 -2.012 18.236 -7.555 1.00 0.00 N ATOM 66 CE2 TRP A 36 -2.134 16.857 -7.496 1.00 0.00 C ATOM 67 CE3 TRP A 36 -2.215 15.030 -5.852 1.00 0.00 C ATOM 68 CZ2 TRP A 36 -2.310 15.925 -8.549 1.00 0.00 C ATOM 69 CZ3 TRP A 36 -2.397 14.133 -6.902 1.00 0.00 C ATOM 70 CH2 TRP A 36 -2.439 14.574 -8.231 1.00 0.00 C ATOM 0 H TRP A 36 -3.158 19.740 -3.361 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.975 16.943 -3.635 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.341 18.426 -3.489 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.415 16.675 -3.437 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.792 19.650 -5.879 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.002 18.831 -8.384 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.168 14.681 -4.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.343 16.255 -9.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.508 13.080 -6.688 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.574 13.854 -9.024 1.00 0.00 H new ATOM 81 N LEU A 37 -4.014 16.240 -1.196 1.00 0.00 N ATOM 82 CA LEU A 37 -4.315 15.988 0.240 1.00 0.00 C ATOM 83 C LEU A 37 -3.193 15.106 0.847 1.00 0.00 C ATOM 84 O LEU A 37 -3.143 13.895 0.616 1.00 0.00 O ATOM 85 CB LEU A 37 -5.748 15.382 0.352 1.00 0.00 C ATOM 86 CG LEU A 37 -6.467 15.456 1.730 1.00 0.00 C ATOM 87 CD1 LEU A 37 -7.944 15.028 1.588 1.00 0.00 C ATOM 88 CD2 LEU A 37 -5.810 14.611 2.841 1.00 0.00 C ATOM 0 H LEU A 37 -4.454 15.576 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.323 16.908 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.380 15.882 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.691 14.333 0.061 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.385 16.499 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.434 15.085 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.450 15.692 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.992 14.004 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.376 14.722 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.802 13.562 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.787 14.951 2.999 1.00 0.00 H new ATOM 100 N ASP A 38 -2.299 15.743 1.625 1.00 0.00 N ATOM 101 CA ASP A 38 -1.112 15.072 2.221 1.00 0.00 C ATOM 102 C ASP A 38 -1.459 14.317 3.545 1.00 0.00 C ATOM 103 O ASP A 38 -1.584 14.908 4.625 1.00 0.00 O ATOM 104 CB ASP A 38 0.035 16.110 2.386 1.00 0.00 C ATOM 105 CG ASP A 38 0.998 16.159 1.201 1.00 0.00 C ATOM 106 OD1 ASP A 38 0.737 16.865 0.207 1.00 0.00 O ATOM 107 OD2 ASP A 38 2.033 15.467 1.238 1.00 0.00 O ATOM 0 H ASP A 38 -2.371 16.732 1.862 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.765 14.292 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.400 17.099 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.597 15.875 3.290 1.00 0.00 H new ATOM 112 N ILE A 39 -1.565 12.980 3.427 1.00 0.00 N ATOM 113 CA ILE A 39 -1.703 12.050 4.589 1.00 0.00 C ATOM 114 C ILE A 39 -0.288 11.697 5.190 1.00 0.00 C ATOM 115 O ILE A 39 0.743 12.233 4.765 1.00 0.00 O ATOM 116 CB ILE A 39 -2.614 10.819 4.206 1.00 0.00 C ATOM 117 CG1 ILE A 39 -2.016 9.892 3.106 1.00 0.00 C ATOM 118 CG2 ILE A 39 -4.067 11.236 3.864 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.661 8.502 2.975 1.00 0.00 C ATOM 0 H ILE A 39 -1.558 12.503 2.526 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.231 12.539 5.408 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.645 10.217 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.098 10.401 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.953 9.760 3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.649 10.351 3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.516 11.729 4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.059 11.922 3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.166 7.945 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.556 7.962 3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.719 8.613 2.736 1.00 0.00 H new ATOM 131 N LEU A 40 -0.254 10.809 6.210 1.00 0.00 N ATOM 132 CA LEU A 40 0.975 10.382 6.943 1.00 0.00 C ATOM 133 C LEU A 40 1.229 11.303 8.169 1.00 0.00 C ATOM 134 O LEU A 40 0.993 10.874 9.303 1.00 0.00 O ATOM 135 CB LEU A 40 2.228 10.042 6.070 1.00 0.00 C ATOM 136 CG LEU A 40 3.241 8.995 6.608 1.00 0.00 C ATOM 137 CD1 LEU A 40 4.234 8.603 5.496 1.00 0.00 C ATOM 138 CD2 LEU A 40 4.034 9.453 7.850 1.00 0.00 C ATOM 0 H LEU A 40 -1.097 10.355 6.560 1.00 0.00 H new ATOM 0 HA LEU A 40 0.762 9.387 7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.872 9.692 5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.772 10.970 5.894 1.00 0.00 H new ATOM 0 HG LEU A 40 2.639 8.142 6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.941 7.868 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.688 8.175 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.776 9.488 5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.717 8.661 8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.604 10.350 7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.342 9.672 8.663 1.00 0.00 H new ATOM 150 N GLY A 41 1.719 12.538 7.951 1.00 0.00 N ATOM 151 CA GLY A 41 2.112 13.431 9.061 1.00 0.00 C ATOM 152 C GLY A 41 2.666 14.778 8.571 1.00 0.00 C ATOM 153 O GLY A 41 2.007 15.811 8.726 1.00 0.00 O ATOM 0 H GLY A 41 1.852 12.940 7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.248 13.609 9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.865 12.934 9.673 1.00 0.00 H new ATOM 157 N ASN A 42 3.891 14.755 8.016 1.00 0.00 N ATOM 158 CA ASN A 42 4.649 15.989 7.660 1.00 0.00 C ATOM 159 C ASN A 42 4.206 16.551 6.274 1.00 0.00 C ATOM 160 O ASN A 42 3.482 17.550 6.238 1.00 0.00 O ATOM 161 CB ASN A 42 6.184 15.743 7.780 1.00 0.00 C ATOM 162 CG ASN A 42 6.718 15.509 9.210 1.00 0.00 C ATOM 163 OD1 ASN A 42 6.866 16.445 9.996 1.00 0.00 O ATOM 164 ND2 ASN A 42 7.017 14.271 9.573 1.00 0.00 N ATOM 0 H ASN A 42 4.389 13.892 7.799 1.00 0.00 H new ATOM 0 HA ASN A 42 4.408 16.773 8.378 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.443 14.878 7.170 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.705 16.601 7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.373 14.086 10.511 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.891 13.502 8.915 1.00 0.00 H new ATOM 171 N GLY A 43 4.624 15.922 5.161 1.00 0.00 N ATOM 172 CA GLY A 43 4.248 16.362 3.800 1.00 0.00 C ATOM 173 C GLY A 43 5.082 15.634 2.733 1.00 0.00 C ATOM 174 O GLY A 43 5.984 16.227 2.134 1.00 0.00 O ATOM 0 H GLY A 43 5.228 15.100 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.188 16.169 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.395 17.438 3.709 1.00 0.00 H new ATOM 178 N LEU A 44 4.769 14.344 2.519 1.00 0.00 N ATOM 179 CA LEU A 44 5.531 13.439 1.614 1.00 0.00 C ATOM 180 C LEU A 44 4.523 12.514 0.865 1.00 0.00 C ATOM 181 O LEU A 44 4.426 12.599 -0.363 1.00 0.00 O ATOM 182 CB LEU A 44 6.607 12.627 2.399 1.00 0.00 C ATOM 183 CG LEU A 44 7.817 13.392 3.004 1.00 0.00 C ATOM 184 CD1 LEU A 44 8.530 12.520 4.057 1.00 0.00 C ATOM 185 CD2 LEU A 44 8.822 13.860 1.933 1.00 0.00 C ATOM 0 H LEU A 44 3.975 13.888 2.969 1.00 0.00 H new ATOM 0 HA LEU A 44 6.077 14.029 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.102 12.108 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.000 11.862 1.729 1.00 0.00 H new ATOM 0 HG LEU A 44 7.418 14.288 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.375 13.069 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.832 12.271 4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.888 11.603 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.646 14.388 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.210 12.995 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.322 14.528 1.232 1.00 0.00 H new ATOM 197 N LEU A 45 3.767 11.657 1.594 1.00 0.00 N ATOM 198 CA LEU A 45 2.697 10.794 1.022 1.00 0.00 C ATOM 199 C LEU A 45 1.422 11.631 0.708 1.00 0.00 C ATOM 200 O LEU A 45 0.967 12.415 1.547 1.00 0.00 O ATOM 201 CB LEU A 45 2.425 9.656 2.046 1.00 0.00 C ATOM 202 CG LEU A 45 1.355 8.586 1.688 1.00 0.00 C ATOM 203 CD1 LEU A 45 1.631 7.867 0.359 1.00 0.00 C ATOM 204 CD2 LEU A 45 1.212 7.555 2.824 1.00 0.00 C ATOM 0 H LEU A 45 3.881 11.542 2.601 1.00 0.00 H new ATOM 0 HA LEU A 45 3.008 10.359 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.367 9.138 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.131 10.119 2.988 1.00 0.00 H new ATOM 0 HG LEU A 45 0.418 9.129 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.846 7.135 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.649 8.595 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.595 7.360 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.458 6.816 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.168 7.056 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.909 8.062 3.740 1.00 0.00 H new ATOM 216 N ARG A 46 0.888 11.475 -0.520 1.00 0.00 N ATOM 217 CA ARG A 46 -0.029 12.487 -1.124 1.00 0.00 C ATOM 218 C ARG A 46 -1.305 11.848 -1.764 1.00 0.00 C ATOM 219 O ARG A 46 -1.432 11.786 -2.991 1.00 0.00 O ATOM 220 CB ARG A 46 0.862 13.308 -2.100 1.00 0.00 C ATOM 221 CG ARG A 46 0.296 14.681 -2.540 1.00 0.00 C ATOM 222 CD ARG A 46 1.367 15.653 -3.092 1.00 0.00 C ATOM 223 NE ARG A 46 2.173 16.161 -1.948 1.00 0.00 N ATOM 224 CZ ARG A 46 3.474 15.959 -1.756 1.00 0.00 C ATOM 225 NH1 ARG A 46 4.320 15.680 -2.715 1.00 0.00 N ATOM 226 NH2 ARG A 46 3.924 16.042 -0.544 1.00 0.00 N ATOM 0 H ARG A 46 1.069 10.667 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.468 13.148 -0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.831 13.471 -1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.039 12.707 -2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.464 14.521 -3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.200 15.148 -1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.008 15.143 -3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.893 16.481 -3.619 1.00 0.00 H new ATOM 0 HE ARG A 46 1.682 16.715 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.993 15.606 -3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.306 15.536 -2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.287 16.256 0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.916 15.893 -0.357 1.00 0.00 H new ATOM 240 N LYS A 47 -2.278 11.405 -0.940 1.00 0.00 N ATOM 241 CA LYS A 47 -3.528 10.760 -1.440 1.00 0.00 C ATOM 242 C LYS A 47 -4.681 11.797 -1.648 1.00 0.00 C ATOM 243 O LYS A 47 -5.544 11.984 -0.785 1.00 0.00 O ATOM 244 CB LYS A 47 -3.921 9.591 -0.487 1.00 0.00 C ATOM 245 CG LYS A 47 -4.942 8.587 -1.095 1.00 0.00 C ATOM 246 CD LYS A 47 -6.148 8.194 -0.216 1.00 0.00 C ATOM 247 CE LYS A 47 -7.183 9.317 0.005 1.00 0.00 C ATOM 248 NZ LYS A 47 -8.435 8.730 0.556 1.00 0.00 N ATOM 0 H LYS A 47 -2.229 11.479 0.076 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.344 10.341 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.019 9.048 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.341 10.009 0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.324 9.013 -2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.405 7.676 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.650 7.342 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.779 7.863 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.785 10.064 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.390 9.827 -0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.232 9.370 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.614 7.809 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.335 8.601 1.583 1.00 0.00 H new ATOM 262 N LYS A 48 -4.726 12.428 -2.834 1.00 0.00 N ATOM 263 CA LYS A 48 -5.847 13.319 -3.244 1.00 0.00 C ATOM 264 C LYS A 48 -7.108 12.488 -3.642 1.00 0.00 C ATOM 265 O LYS A 48 -7.079 11.767 -4.643 1.00 0.00 O ATOM 266 CB LYS A 48 -5.324 14.174 -4.429 1.00 0.00 C ATOM 267 CG LYS A 48 -6.318 15.214 -5.018 1.00 0.00 C ATOM 268 CD LYS A 48 -6.044 15.622 -6.483 1.00 0.00 C ATOM 269 CE LYS A 48 -6.370 14.509 -7.506 1.00 0.00 C ATOM 270 NZ LYS A 48 -6.139 14.978 -8.899 1.00 0.00 N ATOM 0 H LYS A 48 -3.994 12.341 -3.539 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.160 13.961 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.429 14.703 -4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.020 13.500 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.327 14.807 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.294 16.109 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.634 16.507 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.995 15.901 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.751 13.634 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.408 14.198 -7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.365 14.212 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.748 15.798 -9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.142 15.252 -9.012 1.00 0.00 H new ATOM 284 N THR A 49 -8.211 12.657 -2.892 1.00 0.00 N ATOM 285 CA THR A 49 -9.503 11.968 -3.173 1.00 0.00 C ATOM 286 C THR A 49 -10.192 12.639 -4.404 1.00 0.00 C ATOM 287 O THR A 49 -10.737 13.743 -4.302 1.00 0.00 O ATOM 288 CB THR A 49 -10.395 11.977 -1.892 1.00 0.00 C ATOM 289 OG1 THR A 49 -9.686 11.443 -0.777 1.00 0.00 O ATOM 290 CG2 THR A 49 -11.697 11.166 -2.023 1.00 0.00 C ATOM 0 H THR A 49 -8.242 13.269 -2.077 1.00 0.00 H new ATOM 0 HA THR A 49 -9.333 10.923 -3.431 1.00 0.00 H new ATOM 0 HB THR A 49 -10.653 13.026 -1.749 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.262 11.459 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.257 11.224 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.300 11.574 -2.834 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.457 10.125 -2.237 1.00 0.00 H new ATOM 298 N LEU A 50 -10.134 11.954 -5.561 1.00 0.00 N ATOM 299 CA LEU A 50 -10.635 12.483 -6.858 1.00 0.00 C ATOM 300 C LEU A 50 -12.158 12.191 -7.002 1.00 0.00 C ATOM 301 O LEU A 50 -12.960 13.086 -6.721 1.00 0.00 O ATOM 302 CB LEU A 50 -9.702 11.951 -7.989 1.00 0.00 C ATOM 303 CG LEU A 50 -9.989 12.421 -9.442 1.00 0.00 C ATOM 304 CD1 LEU A 50 -9.924 13.952 -9.629 1.00 0.00 C ATOM 305 CD2 LEU A 50 -9.014 11.724 -10.411 1.00 0.00 C ATOM 0 H LEU A 50 -9.739 11.016 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.582 13.570 -6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.679 12.234 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.744 10.862 -7.974 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.018 12.137 -9.664 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.135 14.201 -10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.662 14.429 -8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.928 14.309 -9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.216 12.054 -11.430 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.989 11.980 -10.143 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.147 10.644 -10.346 1.00 0.00 H new ATOM 317 N VAL A 51 -12.548 10.956 -7.385 1.00 0.00 N ATOM 318 CA VAL A 51 -13.964 10.494 -7.330 1.00 0.00 C ATOM 319 C VAL A 51 -14.074 9.679 -5.992 1.00 0.00 C ATOM 320 O VAL A 51 -13.437 8.623 -5.908 1.00 0.00 O ATOM 321 CB VAL A 51 -14.395 9.675 -8.597 1.00 0.00 C ATOM 322 CG1 VAL A 51 -15.874 9.227 -8.534 1.00 0.00 C ATOM 323 CG2 VAL A 51 -14.177 10.433 -9.930 1.00 0.00 C ATOM 0 H VAL A 51 -11.901 10.252 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 51 -14.659 11.333 -7.339 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.741 8.803 -8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.122 8.664 -9.434 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -16.026 8.596 -7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.517 10.104 -8.466 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.497 9.806 -10.762 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -14.760 11.354 -9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.120 10.674 -10.043 1.00 0.00 H new ATOM 333 N PRO A 52 -14.834 10.096 -4.936 1.00 0.00 N ATOM 334 CA PRO A 52 -14.845 9.395 -3.620 1.00 0.00 C ATOM 335 C PRO A 52 -15.559 8.007 -3.621 1.00 0.00 C ATOM 336 O PRO A 52 -16.155 7.585 -4.620 1.00 0.00 O ATOM 337 CB PRO A 52 -15.524 10.450 -2.716 1.00 0.00 C ATOM 338 CG PRO A 52 -16.440 11.254 -3.638 1.00 0.00 C ATOM 339 CD PRO A 52 -15.662 11.319 -4.950 1.00 0.00 C ATOM 0 HA PRO A 52 -13.850 9.101 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -16.092 9.974 -1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -14.784 11.094 -2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -17.406 10.766 -3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -16.637 12.249 -3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -16.331 11.338 -5.810 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.047 12.217 -5.005 1.00 0.00 H new ATOM 347 N GLY A 53 -15.502 7.315 -2.468 1.00 0.00 N ATOM 348 CA GLY A 53 -16.263 6.066 -2.247 1.00 0.00 C ATOM 349 C GLY A 53 -17.801 6.305 -2.182 1.00 0.00 C ATOM 350 O GLY A 53 -18.213 7.062 -1.297 1.00 0.00 O ATOM 0 H GLY A 53 -14.934 7.600 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.042 5.363 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.931 5.603 -1.318 1.00 0.00 H new ATOM 354 N PRO A 54 -18.672 5.727 -3.063 1.00 0.00 N ATOM 355 CA PRO A 54 -20.132 6.046 -3.094 1.00 0.00 C ATOM 356 C PRO A 54 -20.941 5.615 -1.819 1.00 0.00 C ATOM 357 O PRO A 54 -20.431 4.784 -1.062 1.00 0.00 O ATOM 358 CB PRO A 54 -20.591 5.328 -4.382 1.00 0.00 C ATOM 359 CG PRO A 54 -19.589 4.198 -4.614 1.00 0.00 C ATOM 360 CD PRO A 54 -18.267 4.771 -4.111 1.00 0.00 C ATOM 0 HA PRO A 54 -20.317 7.120 -3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -21.602 4.936 -4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -20.606 6.016 -5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -19.868 3.298 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.531 3.925 -5.668 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.619 3.991 -3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.715 5.265 -4.911 1.00 0.00 H new ATOM 368 N PRO A 55 -22.173 6.136 -1.521 1.00 0.00 N ATOM 369 CA PRO A 55 -22.878 5.878 -0.233 1.00 0.00 C ATOM 370 C PRO A 55 -23.230 4.376 -0.005 1.00 0.00 C ATOM 371 O PRO A 55 -23.984 3.770 -0.771 1.00 0.00 O ATOM 372 CB PRO A 55 -24.099 6.817 -0.307 1.00 0.00 C ATOM 373 CG PRO A 55 -24.302 7.123 -1.792 1.00 0.00 C ATOM 374 CD PRO A 55 -22.891 7.097 -2.382 1.00 0.00 C ATOM 0 HA PRO A 55 -22.258 6.084 0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -24.983 6.343 0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -23.924 7.731 0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -24.945 6.381 -2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -24.775 8.094 -1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -22.898 6.775 -3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -22.427 8.083 -2.356 1.00 0.00 H new ATOM 382 N GLY A 56 -22.578 3.794 1.014 1.00 0.00 N ATOM 383 CA GLY A 56 -22.410 2.327 1.133 1.00 0.00 C ATOM 384 C GLY A 56 -21.043 1.861 0.580 1.00 0.00 C ATOM 385 O GLY A 56 -20.988 1.248 -0.490 1.00 0.00 O ATOM 0 H GLY A 56 -22.152 4.319 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -22.498 2.034 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -23.212 1.824 0.593 1.00 0.00 H new ATOM 389 N SER A 57 -19.955 2.173 1.310 1.00 0.00 N ATOM 390 CA SER A 57 -18.565 1.853 0.900 1.00 0.00 C ATOM 391 C SER A 57 -17.687 1.841 2.179 1.00 0.00 C ATOM 392 O SER A 57 -17.520 2.881 2.829 1.00 0.00 O ATOM 393 CB SER A 57 -18.014 2.851 -0.147 1.00 0.00 C ATOM 394 OG SER A 57 -18.021 4.199 0.313 1.00 0.00 O ATOM 0 H SER A 57 -20.011 2.657 2.206 1.00 0.00 H new ATOM 0 HA SER A 57 -18.548 0.877 0.415 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.995 2.568 -0.410 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.609 2.780 -1.057 1.00 0.00 H new ATOM 0 HG SER A 57 -18.808 4.662 -0.044 1.00 0.00 H new ATOM 400 N SER A 58 -17.148 0.662 2.539 1.00 0.00 N ATOM 401 CA SER A 58 -16.410 0.479 3.816 1.00 0.00 C ATOM 402 C SER A 58 -15.007 -0.114 3.539 1.00 0.00 C ATOM 403 O SER A 58 -14.850 -1.248 3.071 1.00 0.00 O ATOM 404 CB SER A 58 -17.170 -0.438 4.789 1.00 0.00 C ATOM 405 OG SER A 58 -18.498 0.016 5.028 1.00 0.00 O ATOM 0 H SER A 58 -17.206 -0.182 1.969 1.00 0.00 H new ATOM 0 HA SER A 58 -16.313 1.460 4.281 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.201 -1.449 4.384 1.00 0.00 H new ATOM 0 HB3 SER A 58 -16.630 -0.490 5.734 1.00 0.00 H new ATOM 0 HG SER A 58 -18.946 -0.595 5.649 1.00 0.00 H new ATOM 411 N ARG A 59 -14.000 0.680 3.908 1.00 0.00 N ATOM 412 CA ARG A 59 -12.560 0.311 3.826 1.00 0.00 C ATOM 413 C ARG A 59 -12.146 -0.965 4.655 1.00 0.00 C ATOM 414 O ARG A 59 -12.578 -1.091 5.809 1.00 0.00 O ATOM 415 CB ARG A 59 -11.682 1.557 4.127 1.00 0.00 C ATOM 416 CG ARG A 59 -11.913 2.326 5.448 1.00 0.00 C ATOM 417 CD ARG A 59 -11.208 3.695 5.422 1.00 0.00 C ATOM 418 NE ARG A 59 -11.564 4.498 6.621 1.00 0.00 N ATOM 419 CZ ARG A 59 -12.591 5.351 6.708 1.00 0.00 C ATOM 420 NH1 ARG A 59 -13.400 5.657 5.722 1.00 0.00 N ATOM 421 NH2 ARG A 59 -12.812 5.921 7.857 1.00 0.00 N ATOM 0 H ARG A 59 -14.151 1.617 4.281 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.375 -0.008 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.640 1.239 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.816 2.262 3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.982 2.467 5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -11.540 1.737 6.286 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.128 3.552 5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.491 4.237 4.519 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.976 4.390 7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.268 5.233 4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.161 6.319 5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.211 5.712 8.654 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.586 6.577 7.960 1.00 0.00 H new ATOM 435 N PRO A 60 -11.353 -1.939 4.112 1.00 0.00 N ATOM 436 CA PRO A 60 -11.305 -3.327 4.643 1.00 0.00 C ATOM 437 C PRO A 60 -10.587 -3.525 6.008 1.00 0.00 C ATOM 438 O PRO A 60 -9.571 -2.891 6.311 1.00 0.00 O ATOM 439 CB PRO A 60 -10.619 -4.111 3.505 1.00 0.00 C ATOM 440 CG PRO A 60 -9.860 -3.078 2.674 1.00 0.00 C ATOM 441 CD PRO A 60 -10.710 -1.822 2.787 1.00 0.00 C ATOM 0 HA PRO A 60 -12.309 -3.669 4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.940 -4.864 3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.354 -4.637 2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.854 -2.916 3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.756 -3.398 1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.101 -0.921 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.450 -1.768 1.988 1.00 0.00 H new ATOM 449 N VAL A 61 -11.139 -4.471 6.788 1.00 0.00 N ATOM 450 CA VAL A 61 -10.557 -4.936 8.081 1.00 0.00 C ATOM 451 C VAL A 61 -9.273 -5.807 7.867 1.00 0.00 C ATOM 452 O VAL A 61 -9.070 -6.412 6.807 1.00 0.00 O ATOM 453 CB VAL A 61 -11.639 -5.652 8.967 1.00 0.00 C ATOM 454 CG1 VAL A 61 -12.742 -4.685 9.459 1.00 0.00 C ATOM 455 CG2 VAL A 61 -12.287 -6.915 8.346 1.00 0.00 C ATOM 0 H VAL A 61 -12.009 -4.945 6.546 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.231 -4.055 8.634 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.056 -6.002 9.819 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -13.462 -5.233 10.066 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -12.291 -3.893 10.057 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.251 -4.246 8.601 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.018 -7.328 9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.784 -6.648 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.516 -7.659 8.146 1.00 0.00 H new ATOM 465 N LYS A 62 -8.407 -5.840 8.899 1.00 0.00 N ATOM 466 CA LYS A 62 -7.052 -6.444 8.816 1.00 0.00 C ATOM 467 C LYS A 62 -7.082 -8.006 8.703 1.00 0.00 C ATOM 468 O LYS A 62 -7.444 -8.715 9.649 1.00 0.00 O ATOM 469 CB LYS A 62 -6.282 -5.928 10.065 1.00 0.00 C ATOM 470 CG LYS A 62 -4.759 -6.193 10.099 1.00 0.00 C ATOM 471 CD LYS A 62 -3.952 -5.365 9.075 1.00 0.00 C ATOM 472 CE LYS A 62 -2.428 -5.453 9.283 1.00 0.00 C ATOM 473 NZ LYS A 62 -1.735 -4.564 8.307 1.00 0.00 N ATOM 0 H LYS A 62 -8.622 -5.450 9.816 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.544 -6.142 7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.442 -4.853 10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.726 -6.382 10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.386 -5.977 11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.581 -7.252 9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.195 -5.708 8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.260 -4.321 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.173 -5.160 10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.093 -6.482 9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.707 -4.626 8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.968 -4.863 7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.046 -3.582 8.450 1.00 0.00 H new ATOM 487 N GLY A 63 -6.690 -8.490 7.518 1.00 0.00 N ATOM 488 CA GLY A 63 -6.773 -9.920 7.138 1.00 0.00 C ATOM 489 C GLY A 63 -7.799 -10.175 6.013 1.00 0.00 C ATOM 490 O GLY A 63 -8.798 -10.861 6.242 1.00 0.00 O ATOM 0 H GLY A 63 -6.301 -7.900 6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.791 -10.264 6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.045 -10.510 8.013 1.00 0.00 H new ATOM 494 N GLN A 64 -7.537 -9.630 4.808 1.00 0.00 N ATOM 495 CA GLN A 64 -8.419 -9.789 3.619 1.00 0.00 C ATOM 496 C GLN A 64 -7.533 -9.736 2.344 1.00 0.00 C ATOM 497 O GLN A 64 -6.637 -8.895 2.220 1.00 0.00 O ATOM 498 CB GLN A 64 -9.515 -8.683 3.522 1.00 0.00 C ATOM 499 CG GLN A 64 -10.685 -8.825 4.519 1.00 0.00 C ATOM 500 CD GLN A 64 -11.835 -7.834 4.285 1.00 0.00 C ATOM 501 OE1 GLN A 64 -11.914 -6.788 4.923 1.00 0.00 O ATOM 502 NE2 GLN A 64 -12.760 -8.138 3.385 1.00 0.00 N ATOM 0 H GLN A 64 -6.708 -9.065 4.625 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.936 -10.744 3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.043 -7.713 3.677 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.920 -8.683 2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.077 -9.840 4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.304 -8.690 5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.691 -9.008 2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.540 -7.502 3.221 1.00 0.00 H new ATOM 511 N VAL A 65 -7.854 -10.587 1.349 1.00 0.00 N ATOM 512 CA VAL A 65 -7.243 -10.516 -0.012 1.00 0.00 C ATOM 513 C VAL A 65 -7.868 -9.287 -0.754 1.00 0.00 C ATOM 514 O VAL A 65 -9.046 -9.287 -1.124 1.00 0.00 O ATOM 515 CB VAL A 65 -7.381 -11.883 -0.768 1.00 0.00 C ATOM 516 CG1 VAL A 65 -6.916 -11.822 -2.242 1.00 0.00 C ATOM 517 CG2 VAL A 65 -6.586 -13.020 -0.077 1.00 0.00 C ATOM 0 H VAL A 65 -8.536 -11.338 1.454 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.166 -10.355 0.042 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.450 -12.094 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.039 -12.802 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.515 -11.089 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.866 -11.533 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.713 -13.946 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.529 -12.757 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.956 -13.158 0.939 1.00 0.00 H new ATOM 527 N VAL A 66 -7.039 -8.242 -0.911 1.00 0.00 N ATOM 528 CA VAL A 66 -7.463 -6.898 -1.388 1.00 0.00 C ATOM 529 C VAL A 66 -6.719 -6.604 -2.726 1.00 0.00 C ATOM 530 O VAL A 66 -5.483 -6.604 -2.781 1.00 0.00 O ATOM 531 CB VAL A 66 -7.245 -5.785 -0.300 1.00 0.00 C ATOM 532 CG1 VAL A 66 -8.235 -5.919 0.879 1.00 0.00 C ATOM 533 CG2 VAL A 66 -5.808 -5.648 0.265 1.00 0.00 C ATOM 0 H VAL A 66 -6.041 -8.299 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.537 -6.890 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.436 -4.871 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.045 -5.128 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.256 -5.834 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.102 -6.890 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.783 -4.849 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.510 -6.586 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.119 -5.412 -0.546 1.00 0.00 H new ATOM 543 N THR A 67 -7.492 -6.359 -3.800 1.00 0.00 N ATOM 544 CA THR A 67 -6.948 -6.076 -5.158 1.00 0.00 C ATOM 545 C THR A 67 -7.210 -4.576 -5.489 1.00 0.00 C ATOM 546 O THR A 67 -8.314 -4.065 -5.278 1.00 0.00 O ATOM 547 CB THR A 67 -7.571 -7.042 -6.210 1.00 0.00 C ATOM 548 OG1 THR A 67 -7.450 -8.396 -5.781 1.00 0.00 O ATOM 549 CG2 THR A 67 -6.922 -6.973 -7.600 1.00 0.00 C ATOM 0 H THR A 67 -8.511 -6.350 -3.760 1.00 0.00 H new ATOM 0 HA THR A 67 -5.873 -6.252 -5.185 1.00 0.00 H new ATOM 0 HB THR A 67 -8.608 -6.716 -6.291 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.848 -8.989 -6.452 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.417 -7.678 -8.268 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.022 -5.963 -7.999 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.865 -7.229 -7.521 1.00 0.00 H new ATOM 557 N VAL A 68 -6.179 -3.892 -6.020 1.00 0.00 N ATOM 558 CA VAL A 68 -6.266 -2.456 -6.426 1.00 0.00 C ATOM 559 C VAL A 68 -5.801 -2.283 -7.908 1.00 0.00 C ATOM 560 O VAL A 68 -4.960 -3.025 -8.426 1.00 0.00 O ATOM 561 CB VAL A 68 -5.506 -1.486 -5.452 1.00 0.00 C ATOM 562 CG1 VAL A 68 -6.095 -1.455 -4.025 1.00 0.00 C ATOM 563 CG2 VAL A 68 -3.980 -1.695 -5.383 1.00 0.00 C ATOM 0 H VAL A 68 -5.262 -4.307 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.314 -2.166 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.671 -0.513 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.520 -0.764 -3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.133 -1.125 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.049 -2.454 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.546 -0.979 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.767 -2.708 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.547 -1.546 -6.372 1.00 0.00 H new ATOM 573 N HIS A 69 -6.337 -1.231 -8.549 1.00 0.00 N ATOM 574 CA HIS A 69 -5.904 -0.763 -9.887 1.00 0.00 C ATOM 575 C HIS A 69 -5.011 0.491 -9.700 1.00 0.00 C ATOM 576 O HIS A 69 -5.519 1.615 -9.724 1.00 0.00 O ATOM 577 CB HIS A 69 -7.174 -0.478 -10.748 1.00 0.00 C ATOM 578 CG HIS A 69 -6.979 -0.005 -12.200 1.00 0.00 C ATOM 579 ND1 HIS A 69 -7.985 0.609 -12.924 1.00 0.00 N ATOM 580 CD2 HIS A 69 -5.807 -0.062 -12.986 1.00 0.00 C ATOM 581 CE1 HIS A 69 -7.314 0.885 -14.085 1.00 0.00 C ATOM 582 NE2 HIS A 69 -5.998 0.523 -14.229 1.00 0.00 N ATOM 0 H HIS A 69 -7.092 -0.672 -8.153 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.314 -1.515 -10.412 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.771 -1.390 -10.772 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.765 0.276 -10.229 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.878 -0.506 -12.660 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.823 1.391 -14.892 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.356 0.647 -15.012 1.00 0.00 H new ATOM 590 N LEU A 70 -3.681 0.297 -9.589 1.00 0.00 N ATOM 591 CA LEU A 70 -2.706 1.410 -9.758 1.00 0.00 C ATOM 592 C LEU A 70 -2.332 1.580 -11.260 1.00 0.00 C ATOM 593 O LEU A 70 -2.287 0.608 -12.026 1.00 0.00 O ATOM 594 CB LEU A 70 -1.508 1.312 -8.770 1.00 0.00 C ATOM 595 CG LEU A 70 -0.438 0.184 -8.873 1.00 0.00 C ATOM 596 CD1 LEU A 70 0.454 0.284 -10.125 1.00 0.00 C ATOM 597 CD2 LEU A 70 0.486 0.217 -7.635 1.00 0.00 C ATOM 0 H LEU A 70 -3.254 -0.607 -9.386 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.181 2.347 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.972 2.259 -8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.932 1.251 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.001 -0.747 -8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.173 -0.535 -10.126 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.166 0.223 -11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.987 1.235 -10.117 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.231 -0.575 -7.716 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.988 1.183 -7.581 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.108 0.066 -6.734 1.00 0.00 H new ATOM 609 N GLN A 71 -2.062 2.832 -11.667 1.00 0.00 N ATOM 610 CA GLN A 71 -1.617 3.147 -13.049 1.00 0.00 C ATOM 611 C GLN A 71 -0.434 4.141 -12.920 1.00 0.00 C ATOM 612 O GLN A 71 -0.638 5.359 -12.856 1.00 0.00 O ATOM 613 CB GLN A 71 -2.829 3.667 -13.880 1.00 0.00 C ATOM 614 CG GLN A 71 -2.683 3.598 -15.417 1.00 0.00 C ATOM 615 CD GLN A 71 -1.575 4.465 -16.045 1.00 0.00 C ATOM 616 OE1 GLN A 71 -0.493 3.982 -16.377 1.00 0.00 O ATOM 617 NE2 GLN A 71 -1.820 5.755 -16.217 1.00 0.00 N ATOM 0 H GLN A 71 -2.142 3.649 -11.062 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.258 2.276 -13.598 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.711 3.095 -13.594 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.017 4.704 -13.600 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.502 2.560 -15.696 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.635 3.886 -15.863 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.720 6.145 -15.938 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.108 6.359 -16.628 1.00 0.00 H new ATOM 626 N THR A 72 0.806 3.606 -12.884 1.00 0.00 N ATOM 627 CA THR A 72 2.025 4.427 -12.656 1.00 0.00 C ATOM 628 C THR A 72 2.490 5.069 -13.997 1.00 0.00 C ATOM 629 O THR A 72 2.795 4.378 -14.976 1.00 0.00 O ATOM 630 CB THR A 72 3.159 3.611 -11.971 1.00 0.00 C ATOM 631 OG1 THR A 72 2.691 3.000 -10.772 1.00 0.00 O ATOM 632 CG2 THR A 72 4.392 4.446 -11.586 1.00 0.00 C ATOM 0 H THR A 72 0.994 2.611 -13.009 1.00 0.00 H new ATOM 0 HA THR A 72 1.774 5.230 -11.963 1.00 0.00 H new ATOM 0 HB THR A 72 3.453 2.876 -12.721 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.419 2.491 -10.359 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.135 3.802 -11.115 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.819 4.898 -12.481 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.097 5.230 -10.889 1.00 0.00 H new ATOM 640 N SER A 73 2.559 6.408 -13.976 1.00 0.00 N ATOM 641 CA SER A 73 3.104 7.231 -15.081 1.00 0.00 C ATOM 642 C SER A 73 3.914 8.401 -14.470 1.00 0.00 C ATOM 643 O SER A 73 3.463 9.048 -13.518 1.00 0.00 O ATOM 644 CB SER A 73 1.965 7.778 -15.975 1.00 0.00 C ATOM 645 OG SER A 73 1.273 6.731 -16.648 1.00 0.00 O ATOM 0 H SER A 73 2.235 6.963 -13.184 1.00 0.00 H new ATOM 0 HA SER A 73 3.750 6.615 -15.707 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.262 8.344 -15.363 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.379 8.470 -16.708 1.00 0.00 H new ATOM 0 HG SER A 73 0.893 6.113 -15.989 1.00 0.00 H new ATOM 651 N LEU A 74 5.104 8.695 -15.037 1.00 0.00 N ATOM 652 CA LEU A 74 5.952 9.824 -14.558 1.00 0.00 C ATOM 653 C LEU A 74 5.588 11.085 -15.390 1.00 0.00 C ATOM 654 O LEU A 74 5.491 11.025 -16.620 1.00 0.00 O ATOM 655 CB LEU A 74 7.456 9.409 -14.621 1.00 0.00 C ATOM 656 CG LEU A 74 8.483 10.079 -13.660 1.00 0.00 C ATOM 657 CD1 LEU A 74 8.825 11.541 -13.991 1.00 0.00 C ATOM 658 CD2 LEU A 74 8.123 9.932 -12.168 1.00 0.00 C ATOM 0 H LEU A 74 5.502 8.176 -15.820 1.00 0.00 H new ATOM 0 HA LEU A 74 5.765 10.070 -13.513 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.504 8.333 -14.451 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.800 9.586 -15.640 1.00 0.00 H new ATOM 0 HG LEU A 74 9.390 9.503 -13.843 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.547 11.919 -13.267 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.252 11.597 -14.992 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.919 12.145 -13.949 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.883 10.423 -11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.154 10.394 -11.980 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.077 8.875 -11.907 1.00 0.00 H new ATOM 670 N GLU A 75 5.357 12.224 -14.711 1.00 0.00 N ATOM 671 CA GLU A 75 4.842 13.478 -15.350 1.00 0.00 C ATOM 672 C GLU A 75 5.626 13.995 -16.608 1.00 0.00 C ATOM 673 O GLU A 75 5.008 14.279 -17.640 1.00 0.00 O ATOM 674 CB GLU A 75 4.684 14.592 -14.271 1.00 0.00 C ATOM 675 CG GLU A 75 3.752 14.309 -13.058 1.00 0.00 C ATOM 676 CD GLU A 75 2.297 13.998 -13.380 1.00 0.00 C ATOM 677 OE1 GLU A 75 1.491 14.945 -13.487 1.00 0.00 O ATOM 678 OE2 GLU A 75 1.952 12.803 -13.492 1.00 0.00 O ATOM 0 H GLU A 75 5.517 12.315 -13.708 1.00 0.00 H new ATOM 0 HA GLU A 75 3.871 13.207 -15.765 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.676 14.823 -13.883 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.319 15.490 -14.770 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.165 13.470 -12.498 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.778 15.176 -12.398 1.00 0.00 H new ATOM 685 N ASN A 76 6.971 14.046 -16.529 1.00 0.00 N ATOM 686 CA ASN A 76 7.860 14.175 -17.719 1.00 0.00 C ATOM 687 C ASN A 76 8.219 12.819 -18.420 1.00 0.00 C ATOM 688 O ASN A 76 8.203 12.760 -19.653 1.00 0.00 O ATOM 689 CB ASN A 76 9.107 15.043 -17.373 1.00 0.00 C ATOM 690 CG ASN A 76 10.159 14.479 -16.387 1.00 0.00 C ATOM 691 OD1 ASN A 76 11.150 13.875 -16.794 1.00 0.00 O ATOM 692 ND2 ASN A 76 9.980 14.667 -15.087 1.00 0.00 N ATOM 0 H ASN A 76 7.478 14.000 -15.645 1.00 0.00 H new ATOM 0 HA ASN A 76 7.284 14.699 -18.481 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.620 15.271 -18.307 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.748 15.989 -16.967 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.665 14.310 -14.421 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.157 15.168 -14.753 1.00 0.00 H new ATOM 699 N GLY A 77 8.564 11.760 -17.658 1.00 0.00 N ATOM 700 CA GLY A 77 9.133 10.502 -18.206 1.00 0.00 C ATOM 701 C GLY A 77 8.221 9.450 -18.890 1.00 0.00 C ATOM 702 O GLY A 77 8.770 8.583 -19.574 1.00 0.00 O ATOM 0 H GLY A 77 8.457 11.749 -16.644 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.896 10.785 -18.932 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.644 9.998 -17.386 1.00 0.00 H new ATOM 706 N THR A 78 6.881 9.501 -18.721 1.00 0.00 N ATOM 707 CA THR A 78 5.888 8.674 -19.472 1.00 0.00 C ATOM 708 C THR A 78 5.801 7.207 -18.947 1.00 0.00 C ATOM 709 O THR A 78 6.751 6.434 -19.101 1.00 0.00 O ATOM 710 CB THR A 78 6.038 8.743 -21.026 1.00 0.00 C ATOM 711 OG1 THR A 78 5.945 10.093 -21.470 1.00 0.00 O ATOM 712 CG2 THR A 78 5.025 7.907 -21.828 1.00 0.00 C ATOM 0 H THR A 78 6.442 10.128 -18.047 1.00 0.00 H new ATOM 0 HA THR A 78 4.926 9.142 -19.260 1.00 0.00 H new ATOM 0 HB THR A 78 7.020 8.311 -21.219 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.042 10.124 -22.445 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.218 8.026 -22.894 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.125 6.856 -21.557 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.014 8.246 -21.602 1.00 0.00 H new ATOM 720 N ARG A 79 4.603 6.840 -18.443 1.00 0.00 N ATOM 721 CA ARG A 79 4.130 5.426 -18.268 1.00 0.00 C ATOM 722 C ARG A 79 5.156 4.346 -17.789 1.00 0.00 C ATOM 723 O ARG A 79 5.368 3.320 -18.447 1.00 0.00 O ATOM 724 CB ARG A 79 3.294 5.028 -19.526 1.00 0.00 C ATOM 725 CG ARG A 79 2.016 4.216 -19.204 1.00 0.00 C ATOM 726 CD ARG A 79 1.228 3.849 -20.474 1.00 0.00 C ATOM 727 NE ARG A 79 -0.130 3.375 -20.089 1.00 0.00 N ATOM 728 CZ ARG A 79 -1.250 4.097 -20.098 1.00 0.00 C ATOM 729 NH1 ARG A 79 -1.333 5.311 -20.581 1.00 0.00 N ATOM 730 NH2 ARG A 79 -2.328 3.573 -19.598 1.00 0.00 N ATOM 0 H ARG A 79 3.913 7.525 -18.136 1.00 0.00 H new ATOM 0 HA ARG A 79 3.501 5.430 -17.378 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.011 5.934 -20.062 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.923 4.444 -20.197 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.290 3.305 -18.672 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.378 4.795 -18.536 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.151 4.715 -21.131 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.753 3.072 -21.030 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.211 2.403 -19.789 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.508 5.758 -20.981 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.222 5.810 -20.557 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.304 2.630 -19.211 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.198 4.105 -19.593 1.00 0.00 H new ATOM 744 N VAL A 80 5.823 4.626 -16.654 1.00 0.00 N ATOM 745 CA VAL A 80 7.106 3.952 -16.300 1.00 0.00 C ATOM 746 C VAL A 80 6.975 2.473 -15.806 1.00 0.00 C ATOM 747 O VAL A 80 7.803 1.647 -16.204 1.00 0.00 O ATOM 748 CB VAL A 80 8.034 4.831 -15.390 1.00 0.00 C ATOM 749 CG1 VAL A 80 8.578 6.085 -16.118 1.00 0.00 C ATOM 750 CG2 VAL A 80 7.438 5.217 -14.015 1.00 0.00 C ATOM 0 H VAL A 80 5.506 5.308 -15.965 1.00 0.00 H new ATOM 0 HA VAL A 80 7.618 3.855 -17.257 1.00 0.00 H new ATOM 0 HB VAL A 80 8.869 4.165 -15.174 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.213 6.653 -15.438 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.160 5.777 -16.987 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.744 6.708 -16.442 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.157 5.823 -13.464 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.521 5.787 -14.163 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.216 4.313 -13.448 1.00 0.00 H new ATOM 760 N GLN A 81 5.968 2.136 -14.969 1.00 0.00 N ATOM 761 CA GLN A 81 5.688 0.728 -14.571 1.00 0.00 C ATOM 762 C GLN A 81 4.154 0.553 -14.366 1.00 0.00 C ATOM 763 O GLN A 81 3.677 0.466 -13.230 1.00 0.00 O ATOM 764 CB GLN A 81 6.534 0.338 -13.317 1.00 0.00 C ATOM 765 CG GLN A 81 6.607 -1.178 -13.014 1.00 0.00 C ATOM 766 CD GLN A 81 7.563 -1.944 -13.947 1.00 0.00 C ATOM 767 OE1 GLN A 81 8.783 -1.877 -13.798 1.00 0.00 O ATOM 768 NE2 GLN A 81 7.041 -2.667 -14.927 1.00 0.00 N ATOM 0 H GLN A 81 5.332 2.817 -14.553 1.00 0.00 H new ATOM 0 HA GLN A 81 5.990 0.039 -15.360 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.548 0.714 -13.452 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.119 0.846 -12.447 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.928 -1.319 -11.982 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.608 -1.606 -13.099 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.029 -2.716 -15.041 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.652 -3.175 -15.567 1.00 0.00 H new ATOM 777 N GLU A 82 3.383 0.462 -15.473 1.00 0.00 N ATOM 778 CA GLU A 82 1.913 0.219 -15.410 1.00 0.00 C ATOM 779 C GLU A 82 1.591 -1.261 -15.014 1.00 0.00 C ATOM 780 O GLU A 82 1.827 -2.202 -15.779 1.00 0.00 O ATOM 781 CB GLU A 82 1.275 0.665 -16.751 1.00 0.00 C ATOM 782 CG GLU A 82 -0.262 0.448 -16.836 1.00 0.00 C ATOM 783 CD GLU A 82 -0.930 0.942 -18.103 1.00 0.00 C ATOM 784 OE1 GLU A 82 -0.331 0.884 -19.195 1.00 0.00 O ATOM 785 OE2 GLU A 82 -2.063 1.455 -18.023 1.00 0.00 O ATOM 0 H GLU A 82 3.748 0.552 -16.421 1.00 0.00 H new ATOM 0 HA GLU A 82 1.466 0.819 -14.617 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.489 1.722 -16.907 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.752 0.119 -17.565 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.465 -0.618 -16.733 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.727 0.945 -15.985 1.00 0.00 H new ATOM 792 N GLU A 83 1.044 -1.435 -13.799 1.00 0.00 N ATOM 793 CA GLU A 83 0.865 -2.773 -13.178 1.00 0.00 C ATOM 794 C GLU A 83 -0.611 -2.902 -12.646 1.00 0.00 C ATOM 795 O GLU A 83 -0.851 -2.612 -11.467 1.00 0.00 O ATOM 796 CB GLU A 83 2.012 -2.888 -12.140 1.00 0.00 C ATOM 797 CG GLU A 83 2.196 -4.284 -11.509 1.00 0.00 C ATOM 798 CD GLU A 83 3.466 -4.379 -10.677 1.00 0.00 C ATOM 799 OE1 GLU A 83 4.532 -4.702 -11.244 1.00 0.00 O ATOM 800 OE2 GLU A 83 3.401 -4.142 -9.453 1.00 0.00 O ATOM 0 H GLU A 83 0.714 -0.664 -13.218 1.00 0.00 H new ATOM 0 HA GLU A 83 0.954 -3.625 -13.852 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.946 -2.600 -12.622 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.830 -2.168 -11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.335 -4.513 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.224 -5.036 -12.298 1.00 0.00 H new ATOM 807 N PRO A 84 -1.633 -3.282 -13.479 1.00 0.00 N ATOM 808 CA PRO A 84 -3.071 -3.097 -13.133 1.00 0.00 C ATOM 809 C PRO A 84 -3.700 -4.112 -12.135 1.00 0.00 C ATOM 810 O PRO A 84 -4.386 -3.671 -11.212 1.00 0.00 O ATOM 811 CB PRO A 84 -3.756 -3.066 -14.514 1.00 0.00 C ATOM 812 CG PRO A 84 -2.856 -3.899 -15.428 1.00 0.00 C ATOM 813 CD PRO A 84 -1.447 -3.618 -14.907 1.00 0.00 C ATOM 0 HA PRO A 84 -3.211 -2.188 -12.548 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.761 -3.484 -14.464 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.854 -2.045 -14.882 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.100 -4.960 -15.370 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.963 -3.604 -16.472 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.800 -4.487 -15.028 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.981 -2.795 -15.450 1.00 0.00 H new ATOM 821 N GLU A 85 -3.487 -5.436 -12.298 1.00 0.00 N ATOM 822 CA GLU A 85 -3.998 -6.456 -11.339 1.00 0.00 C ATOM 823 C GLU A 85 -2.995 -6.655 -10.158 1.00 0.00 C ATOM 824 O GLU A 85 -2.041 -7.437 -10.253 1.00 0.00 O ATOM 825 CB GLU A 85 -4.322 -7.760 -12.130 1.00 0.00 C ATOM 826 CG GLU A 85 -5.398 -8.674 -11.484 1.00 0.00 C ATOM 827 CD GLU A 85 -6.808 -8.113 -11.587 1.00 0.00 C ATOM 828 OE1 GLU A 85 -7.174 -7.248 -10.766 1.00 0.00 O ATOM 829 OE2 GLU A 85 -7.533 -8.446 -12.543 1.00 0.00 O ATOM 0 H GLU A 85 -2.966 -5.829 -13.082 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.923 -6.123 -10.869 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.655 -7.486 -13.131 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.403 -8.334 -12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.368 -9.652 -11.963 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.151 -8.826 -10.433 1.00 0.00 H new ATOM 836 N LEU A 86 -3.220 -5.901 -9.062 1.00 0.00 N ATOM 837 CA LEU A 86 -2.275 -5.835 -7.915 1.00 0.00 C ATOM 838 C LEU A 86 -2.917 -6.517 -6.672 1.00 0.00 C ATOM 839 O LEU A 86 -3.452 -5.846 -5.783 1.00 0.00 O ATOM 840 CB LEU A 86 -1.895 -4.341 -7.685 1.00 0.00 C ATOM 841 CG LEU A 86 -0.638 -4.109 -6.801 1.00 0.00 C ATOM 842 CD1 LEU A 86 0.668 -4.257 -7.607 1.00 0.00 C ATOM 843 CD2 LEU A 86 -0.690 -2.729 -6.121 1.00 0.00 C ATOM 0 H LEU A 86 -4.052 -5.324 -8.942 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.353 -6.381 -8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.730 -3.871 -8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.743 -3.833 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.643 -4.881 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.522 -4.087 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.726 -5.262 -8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.681 -3.527 -8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.201 -2.591 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.731 -1.950 -6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.577 -2.667 -5.490 1.00 0.00 H new ATOM 855 N VAL A 87 -2.845 -7.862 -6.621 1.00 0.00 N ATOM 856 CA VAL A 87 -3.434 -8.675 -5.517 1.00 0.00 C ATOM 857 C VAL A 87 -2.399 -8.880 -4.362 1.00 0.00 C ATOM 858 O VAL A 87 -1.220 -9.168 -4.595 1.00 0.00 O ATOM 859 CB VAL A 87 -4.052 -9.993 -6.092 1.00 0.00 C ATOM 860 CG1 VAL A 87 -3.032 -11.009 -6.656 1.00 0.00 C ATOM 861 CG2 VAL A 87 -4.970 -10.714 -5.083 1.00 0.00 C ATOM 0 H VAL A 87 -2.381 -8.421 -7.337 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.263 -8.138 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.642 -9.631 -6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.561 -11.886 -7.029 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.472 -10.549 -7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.343 -11.309 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.369 -11.621 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.398 -10.976 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.793 -10.055 -4.804 1.00 0.00 H new ATOM 871 N PHE A 88 -2.882 -8.726 -3.121 1.00 0.00 N ATOM 872 CA PHE A 88 -2.053 -8.833 -1.885 1.00 0.00 C ATOM 873 C PHE A 88 -2.963 -9.034 -0.639 1.00 0.00 C ATOM 874 O PHE A 88 -4.081 -8.514 -0.565 1.00 0.00 O ATOM 875 CB PHE A 88 -1.062 -7.639 -1.684 1.00 0.00 C ATOM 876 CG PHE A 88 -1.655 -6.236 -1.414 1.00 0.00 C ATOM 877 CD1 PHE A 88 -2.237 -5.506 -2.455 1.00 0.00 C ATOM 878 CD2 PHE A 88 -1.603 -5.675 -0.131 1.00 0.00 C ATOM 879 CE1 PHE A 88 -2.769 -4.244 -2.221 1.00 0.00 C ATOM 880 CE2 PHE A 88 -2.130 -4.406 0.101 1.00 0.00 C ATOM 881 CZ PHE A 88 -2.713 -3.694 -0.945 1.00 0.00 C ATOM 0 H PHE A 88 -3.863 -8.522 -2.932 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.421 -9.712 -2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.404 -7.889 -0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.437 -7.571 -2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.273 -5.927 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.153 -6.228 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.225 -3.691 -3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.087 -3.975 1.090 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.123 -2.711 -0.764 1.00 0.00 H new ATOM 891 N THR A 89 -2.430 -9.730 0.381 1.00 0.00 N ATOM 892 CA THR A 89 -3.113 -9.891 1.699 1.00 0.00 C ATOM 893 C THR A 89 -2.881 -8.610 2.561 1.00 0.00 C ATOM 894 O THR A 89 -1.784 -8.040 2.566 1.00 0.00 O ATOM 895 CB THR A 89 -2.610 -11.192 2.397 1.00 0.00 C ATOM 896 OG1 THR A 89 -2.799 -12.312 1.533 1.00 0.00 O ATOM 897 CG2 THR A 89 -3.329 -11.540 3.714 1.00 0.00 C ATOM 0 H THR A 89 -1.524 -10.196 0.327 1.00 0.00 H new ATOM 0 HA THR A 89 -4.189 -10.000 1.564 1.00 0.00 H new ATOM 0 HB THR A 89 -1.563 -10.991 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.479 -13.125 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.911 -12.459 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.192 -10.728 4.429 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.393 -11.679 3.522 1.00 0.00 H new ATOM 905 N LEU A 90 -3.919 -8.174 3.304 1.00 0.00 N ATOM 906 CA LEU A 90 -3.847 -6.956 4.162 1.00 0.00 C ATOM 907 C LEU A 90 -3.011 -7.286 5.437 1.00 0.00 C ATOM 908 O LEU A 90 -3.452 -8.034 6.318 1.00 0.00 O ATOM 909 CB LEU A 90 -5.276 -6.416 4.487 1.00 0.00 C ATOM 910 CG LEU A 90 -5.459 -4.874 4.447 1.00 0.00 C ATOM 911 CD1 LEU A 90 -6.938 -4.494 4.649 1.00 0.00 C ATOM 912 CD2 LEU A 90 -4.604 -4.080 5.456 1.00 0.00 C ATOM 0 H LEU A 90 -4.824 -8.644 3.332 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.342 -6.150 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.978 -6.861 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.556 -6.767 5.480 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.107 -4.591 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.043 -3.409 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.540 -4.940 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.280 -4.863 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.807 -3.015 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.853 -4.394 6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.548 -4.270 5.266 1.00 0.00 H new ATOM 924 N GLY A 91 -1.767 -6.783 5.450 1.00 0.00 N ATOM 925 CA GLY A 91 -0.687 -7.320 6.311 1.00 0.00 C ATOM 926 C GLY A 91 0.311 -8.186 5.515 1.00 0.00 C ATOM 927 O GLY A 91 0.329 -9.410 5.675 1.00 0.00 O ATOM 0 H GLY A 91 -1.476 -5.996 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.154 -6.494 6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.125 -7.915 7.112 1.00 0.00 H new ATOM 931 N ASP A 92 1.125 -7.539 4.658 1.00 0.00 N ATOM 932 CA ASP A 92 2.092 -8.229 3.750 1.00 0.00 C ATOM 933 C ASP A 92 3.255 -7.256 3.345 1.00 0.00 C ATOM 934 O ASP A 92 4.413 -7.489 3.711 1.00 0.00 O ATOM 935 CB ASP A 92 1.317 -8.859 2.553 1.00 0.00 C ATOM 936 CG ASP A 92 2.172 -9.664 1.588 1.00 0.00 C ATOM 937 OD1 ASP A 92 2.690 -9.061 0.624 1.00 0.00 O ATOM 938 OD2 ASP A 92 2.331 -10.887 1.786 1.00 0.00 O ATOM 0 H ASP A 92 1.139 -6.523 4.568 1.00 0.00 H new ATOM 0 HA ASP A 92 2.584 -9.056 4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.533 -9.506 2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.823 -8.061 1.999 1.00 0.00 H new ATOM 943 N CYS A 93 2.929 -6.188 2.585 1.00 0.00 N ATOM 944 CA CYS A 93 3.905 -5.228 1.998 1.00 0.00 C ATOM 945 C CYS A 93 4.883 -5.777 0.902 1.00 0.00 C ATOM 946 O CYS A 93 6.032 -5.327 0.812 1.00 0.00 O ATOM 947 CB CYS A 93 4.559 -4.321 3.072 1.00 0.00 C ATOM 948 SG CYS A 93 5.183 -2.794 2.287 1.00 0.00 S ATOM 0 H CYS A 93 1.962 -5.960 2.354 1.00 0.00 H new ATOM 0 HA CYS A 93 3.285 -4.577 1.382 1.00 0.00 H new ATOM 0 HB2 CYS A 93 3.832 -4.073 3.845 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.376 -4.851 3.561 1.00 0.00 H new ATOM 0 HG CYS A 93 5.827 -3.097 1.199 1.00 0.00 H new ATOM 954 N ASP A 94 4.397 -6.632 -0.028 1.00 0.00 N ATOM 955 CA ASP A 94 4.985 -6.762 -1.399 1.00 0.00 C ATOM 956 C ASP A 94 4.867 -5.445 -2.252 1.00 0.00 C ATOM 957 O ASP A 94 5.864 -4.992 -2.824 1.00 0.00 O ATOM 958 CB ASP A 94 4.350 -8.000 -2.090 1.00 0.00 C ATOM 959 CG ASP A 94 5.024 -8.380 -3.406 1.00 0.00 C ATOM 960 OD1 ASP A 94 4.731 -7.751 -4.444 1.00 0.00 O ATOM 961 OD2 ASP A 94 5.939 -9.229 -3.412 1.00 0.00 O ATOM 0 H ASP A 94 3.599 -7.246 0.138 1.00 0.00 H new ATOM 0 HA ASP A 94 6.060 -6.918 -1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.398 -8.850 -1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.295 -7.800 -2.277 1.00 0.00 H new ATOM 966 N VAL A 95 3.665 -4.835 -2.280 1.00 0.00 N ATOM 967 CA VAL A 95 3.395 -3.487 -2.864 1.00 0.00 C ATOM 968 C VAL A 95 4.295 -2.340 -2.285 1.00 0.00 C ATOM 969 O VAL A 95 4.952 -2.514 -1.252 1.00 0.00 O ATOM 970 CB VAL A 95 1.861 -3.168 -2.730 1.00 0.00 C ATOM 971 CG1 VAL A 95 0.961 -4.201 -3.447 1.00 0.00 C ATOM 972 CG2 VAL A 95 1.360 -2.944 -1.279 1.00 0.00 C ATOM 0 H VAL A 95 2.828 -5.269 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 95 3.671 -3.526 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 95 1.768 -2.209 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.085 -3.924 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.202 -4.218 -4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.131 -5.190 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.291 -2.731 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.544 -3.841 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.893 -2.102 -0.836 1.00 0.00 H new ATOM 982 N ILE A 96 4.304 -1.160 -2.945 1.00 0.00 N ATOM 983 CA ILE A 96 5.138 0.005 -2.511 1.00 0.00 C ATOM 984 C ILE A 96 4.784 0.501 -1.074 1.00 0.00 C ATOM 985 O ILE A 96 3.648 0.365 -0.608 1.00 0.00 O ATOM 986 CB ILE A 96 5.195 1.175 -3.565 1.00 0.00 C ATOM 987 CG1 ILE A 96 3.837 1.849 -3.906 1.00 0.00 C ATOM 988 CG2 ILE A 96 5.950 0.764 -4.846 1.00 0.00 C ATOM 989 CD1 ILE A 96 3.937 3.147 -4.723 1.00 0.00 C ATOM 0 H ILE A 96 3.747 -0.980 -3.780 1.00 0.00 H new ATOM 0 HA ILE A 96 6.157 -0.379 -2.459 1.00 0.00 H new ATOM 0 HB ILE A 96 5.762 1.951 -3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.225 1.137 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.313 2.064 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.965 1.601 -5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.973 0.485 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.447 -0.085 -5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.937 3.538 -4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.517 3.883 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.428 2.941 -5.674 1.00 0.00 H new ATOM 1001 N GLN A 97 5.789 1.076 -0.385 1.00 0.00 N ATOM 1002 CA GLN A 97 5.619 1.685 0.970 1.00 0.00 C ATOM 1003 C GLN A 97 4.510 2.792 1.072 1.00 0.00 C ATOM 1004 O GLN A 97 3.784 2.839 2.069 1.00 0.00 O ATOM 1005 CB GLN A 97 7.014 2.177 1.479 1.00 0.00 C ATOM 1006 CG GLN A 97 7.368 1.882 2.956 1.00 0.00 C ATOM 1007 CD GLN A 97 6.506 2.594 4.012 1.00 0.00 C ATOM 1008 OE1 GLN A 97 5.452 2.101 4.410 1.00 0.00 O ATOM 1009 NE2 GLN A 97 6.937 3.749 4.494 1.00 0.00 N ATOM 0 H GLN A 97 6.743 1.137 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 97 5.237 0.904 1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 97 7.782 1.726 0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 97 7.069 3.255 1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.292 0.807 3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.410 2.157 3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 97 7.813 4.148 4.156 1.00 0.00 H new ATOM 0 HE22 GLN A 97 6.393 4.240 5.204 1.00 0.00 H new ATOM 1018 N ALA A 98 4.338 3.614 0.015 1.00 0.00 N ATOM 1019 CA ALA A 98 3.160 4.496 -0.174 1.00 0.00 C ATOM 1020 C ALA A 98 1.762 3.809 -0.260 1.00 0.00 C ATOM 1021 O ALA A 98 0.816 4.296 0.365 1.00 0.00 O ATOM 1022 CB ALA A 98 3.414 5.310 -1.455 1.00 0.00 C ATOM 0 H ALA A 98 5.019 3.687 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 98 3.085 5.098 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.570 5.976 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.323 5.899 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.528 4.632 -2.300 1.00 0.00 H new ATOM 1028 N LEU A 99 1.633 2.700 -1.021 1.00 0.00 N ATOM 1029 CA LEU A 99 0.372 1.928 -1.168 1.00 0.00 C ATOM 1030 C LEU A 99 -0.110 1.284 0.165 1.00 0.00 C ATOM 1031 O LEU A 99 -1.230 1.583 0.577 1.00 0.00 O ATOM 1032 CB LEU A 99 0.541 0.895 -2.324 1.00 0.00 C ATOM 1033 CG LEU A 99 -0.722 0.367 -3.055 1.00 0.00 C ATOM 1034 CD1 LEU A 99 -1.764 -0.313 -2.144 1.00 0.00 C ATOM 1035 CD2 LEU A 99 -1.388 1.448 -3.929 1.00 0.00 C ATOM 0 H LEU A 99 2.407 2.309 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.430 2.617 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.191 1.345 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.071 0.033 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.337 -0.420 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.609 -0.648 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.309 -1.170 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.111 0.398 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.267 1.029 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.688 2.288 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.681 1.792 -4.684 1.00 0.00 H new ATOM 1047 N ASP A 100 0.718 0.451 0.839 1.00 0.00 N ATOM 1048 CA ASP A 100 0.390 -0.162 2.164 1.00 0.00 C ATOM 1049 C ASP A 100 -0.123 0.822 3.284 1.00 0.00 C ATOM 1050 O ASP A 100 -1.124 0.532 3.950 1.00 0.00 O ATOM 1051 CB ASP A 100 1.638 -0.994 2.578 1.00 0.00 C ATOM 1052 CG ASP A 100 1.361 -2.055 3.643 1.00 0.00 C ATOM 1053 OD1 ASP A 100 0.914 -3.166 3.288 1.00 0.00 O ATOM 1054 OD2 ASP A 100 1.581 -1.774 4.841 1.00 0.00 O ATOM 0 H ASP A 100 1.635 0.180 0.485 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.491 -0.794 2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.045 -1.482 1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.406 -0.315 2.949 1.00 0.00 H new ATOM 1059 N LEU A 101 0.519 2.002 3.420 1.00 0.00 N ATOM 1060 CA LEU A 101 0.034 3.123 4.277 1.00 0.00 C ATOM 1061 C LEU A 101 -1.324 3.784 3.863 1.00 0.00 C ATOM 1062 O LEU A 101 -2.118 4.103 4.751 1.00 0.00 O ATOM 1063 CB LEU A 101 1.145 4.206 4.379 1.00 0.00 C ATOM 1064 CG LEU A 101 2.448 3.823 5.136 1.00 0.00 C ATOM 1065 CD1 LEU A 101 3.509 4.917 4.927 1.00 0.00 C ATOM 1066 CD2 LEU A 101 2.233 3.587 6.645 1.00 0.00 C ATOM 0 H LEU A 101 1.394 2.212 2.939 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.181 2.664 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.418 4.505 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.718 5.083 4.866 1.00 0.00 H new ATOM 0 HG LEU A 101 2.787 2.875 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.421 4.646 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.725 5.016 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.134 5.866 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.183 3.324 7.111 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.844 4.496 7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.521 2.774 6.788 1.00 0.00 H new ATOM 1078 N SER A 102 -1.594 3.990 2.557 1.00 0.00 N ATOM 1079 CA SER A 102 -2.914 4.488 2.062 1.00 0.00 C ATOM 1080 C SER A 102 -4.097 3.460 1.984 1.00 0.00 C ATOM 1081 O SER A 102 -5.214 3.898 1.703 1.00 0.00 O ATOM 1082 CB SER A 102 -2.685 5.206 0.709 1.00 0.00 C ATOM 1083 OG SER A 102 -2.312 4.301 -0.327 1.00 0.00 O ATOM 0 H SER A 102 -0.916 3.820 1.814 1.00 0.00 H new ATOM 0 HA SER A 102 -3.274 5.170 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.596 5.730 0.420 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.907 5.960 0.827 1.00 0.00 H new ATOM 0 HG SER A 102 -1.980 3.469 0.070 1.00 0.00 H new ATOM 1089 N VAL A 103 -3.911 2.148 2.273 1.00 0.00 N ATOM 1090 CA VAL A 103 -5.029 1.159 2.438 1.00 0.00 C ATOM 1091 C VAL A 103 -6.006 1.539 3.616 1.00 0.00 C ATOM 1092 O VAL A 103 -7.198 1.633 3.306 1.00 0.00 O ATOM 1093 CB VAL A 103 -4.543 -0.337 2.499 1.00 0.00 C ATOM 1094 CG1 VAL A 103 -5.701 -1.362 2.591 1.00 0.00 C ATOM 1095 CG2 VAL A 103 -3.666 -0.765 1.302 1.00 0.00 C ATOM 0 H VAL A 103 -2.986 1.737 2.400 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.616 1.228 1.522 1.00 0.00 H new ATOM 0 HB VAL A 103 -3.951 -0.351 3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.291 -2.371 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.284 -1.172 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.344 -1.264 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.373 -1.808 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.231 -0.649 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.774 -0.140 1.263 1.00 0.00 H new ATOM 1105 N PRO A 104 -5.618 1.804 4.907 1.00 0.00 N ATOM 1106 CA PRO A 104 -6.552 2.339 5.946 1.00 0.00 C ATOM 1107 C PRO A 104 -7.211 3.748 5.740 1.00 0.00 C ATOM 1108 O PRO A 104 -8.011 4.147 6.592 1.00 0.00 O ATOM 1109 CB PRO A 104 -5.702 2.267 7.234 1.00 0.00 C ATOM 1110 CG PRO A 104 -4.247 2.292 6.769 1.00 0.00 C ATOM 1111 CD PRO A 104 -4.270 1.535 5.444 1.00 0.00 C ATOM 0 HA PRO A 104 -7.464 1.742 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.917 3.108 7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.918 1.358 7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.887 3.313 6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -3.588 1.811 7.492 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -3.492 1.889 4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.103 0.468 5.590 1.00 0.00 H new ATOM 1119 N LEU A 105 -6.939 4.464 4.629 1.00 0.00 N ATOM 1120 CA LEU A 105 -7.827 5.541 4.115 1.00 0.00 C ATOM 1121 C LEU A 105 -8.102 5.259 2.605 1.00 0.00 C ATOM 1122 O LEU A 105 -7.553 5.943 1.735 1.00 0.00 O ATOM 1123 CB LEU A 105 -7.192 6.947 4.356 1.00 0.00 C ATOM 1124 CG LEU A 105 -7.045 7.435 5.824 1.00 0.00 C ATOM 1125 CD1 LEU A 105 -6.238 8.746 5.890 1.00 0.00 C ATOM 1126 CD2 LEU A 105 -8.404 7.631 6.522 1.00 0.00 C ATOM 0 H LEU A 105 -6.104 4.317 4.062 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.776 5.546 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.201 6.949 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.791 7.681 3.818 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.508 6.649 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.149 9.067 6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.244 8.583 5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.749 9.517 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.242 7.972 7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.988 8.375 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.945 6.685 6.537 1.00 0.00 H new ATOM 1138 N MET A 106 -8.936 4.242 2.281 1.00 0.00 N ATOM 1139 CA MET A 106 -9.286 3.900 0.872 1.00 0.00 C ATOM 1140 C MET A 106 -10.535 2.980 0.877 1.00 0.00 C ATOM 1141 O MET A 106 -10.426 1.758 1.037 1.00 0.00 O ATOM 1142 CB MET A 106 -8.090 3.281 0.091 1.00 0.00 C ATOM 1143 CG MET A 106 -8.263 3.227 -1.436 1.00 0.00 C ATOM 1144 SD MET A 106 -6.676 2.842 -2.217 1.00 0.00 S ATOM 1145 CE MET A 106 -5.838 4.448 -2.200 1.00 0.00 C ATOM 0 H MET A 106 -9.382 3.641 2.974 1.00 0.00 H new ATOM 0 HA MET A 106 -9.524 4.818 0.334 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.192 3.855 0.319 1.00 0.00 H new ATOM 0 HB3 MET A 106 -7.922 2.268 0.458 1.00 0.00 H new ATOM 0 HG2 MET A 106 -9.003 2.471 -1.701 1.00 0.00 H new ATOM 0 HG3 MET A 106 -8.638 4.182 -1.803 1.00 0.00 H new ATOM 0 HE1 MET A 106 -4.906 4.378 -2.761 1.00 0.00 H new ATOM 0 HE2 MET A 106 -6.482 5.199 -2.657 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.621 4.734 -1.171 1.00 0.00 H new ATOM 1155 N ASP A 107 -11.718 3.589 0.692 1.00 0.00 N ATOM 1156 CA ASP A 107 -13.026 2.869 0.708 1.00 0.00 C ATOM 1157 C ASP A 107 -13.380 2.198 -0.662 1.00 0.00 C ATOM 1158 O ASP A 107 -12.732 2.418 -1.694 1.00 0.00 O ATOM 1159 CB ASP A 107 -14.106 3.854 1.246 1.00 0.00 C ATOM 1160 CG ASP A 107 -13.984 4.181 2.739 1.00 0.00 C ATOM 1161 OD1 ASP A 107 -13.249 5.125 3.096 1.00 0.00 O ATOM 1162 OD2 ASP A 107 -14.590 3.481 3.577 1.00 0.00 O ATOM 0 H ASP A 107 -11.807 4.592 0.527 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.972 2.014 1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -14.047 4.783 0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -15.092 3.428 1.060 1.00 0.00 H new ATOM 1167 N VAL A 108 -14.408 1.325 -0.639 1.00 0.00 N ATOM 1168 CA VAL A 108 -14.768 0.442 -1.789 1.00 0.00 C ATOM 1169 C VAL A 108 -15.368 1.303 -2.946 1.00 0.00 C ATOM 1170 O VAL A 108 -16.481 1.825 -2.846 1.00 0.00 O ATOM 1171 CB VAL A 108 -15.690 -0.742 -1.327 1.00 0.00 C ATOM 1172 CG1 VAL A 108 -16.183 -1.634 -2.493 1.00 0.00 C ATOM 1173 CG2 VAL A 108 -15.008 -1.673 -0.293 1.00 0.00 C ATOM 0 H VAL A 108 -15.016 1.206 0.171 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.872 -0.034 -2.186 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.540 -0.235 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -16.814 -2.431 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -16.757 -1.030 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.325 -2.070 -3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -15.695 -2.471 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -14.108 -2.106 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -14.740 -1.098 0.593 1.00 0.00 H new ATOM 1183 N GLY A 109 -14.576 1.446 -4.019 1.00 0.00 N ATOM 1184 CA GLY A 109 -14.847 2.424 -5.099 1.00 0.00 C ATOM 1185 C GLY A 109 -14.228 3.841 -4.968 1.00 0.00 C ATOM 1186 O GLY A 109 -14.711 4.740 -5.663 1.00 0.00 O ATOM 0 H GLY A 109 -13.732 0.893 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.498 1.992 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -15.928 2.538 -5.184 1.00 0.00 H new ATOM 1190 N GLU A 110 -13.169 4.052 -4.155 1.00 0.00 N ATOM 1191 CA GLU A 110 -12.459 5.352 -4.077 1.00 0.00 C ATOM 1192 C GLU A 110 -11.332 5.425 -5.157 1.00 0.00 C ATOM 1193 O GLU A 110 -10.262 4.817 -5.017 1.00 0.00 O ATOM 1194 CB GLU A 110 -11.918 5.562 -2.634 1.00 0.00 C ATOM 1195 CG GLU A 110 -11.490 7.028 -2.362 1.00 0.00 C ATOM 1196 CD GLU A 110 -10.665 7.285 -1.115 1.00 0.00 C ATOM 1197 OE1 GLU A 110 -9.461 6.953 -1.095 1.00 0.00 O ATOM 1198 OE2 GLU A 110 -11.164 7.928 -0.170 1.00 0.00 O ATOM 0 H GLU A 110 -12.784 3.335 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 110 -13.151 6.166 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.686 5.273 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -11.065 4.903 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.921 7.380 -3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.391 7.639 -2.304 1.00 0.00 H new ATOM 1205 N THR A 111 -11.569 6.243 -6.200 1.00 0.00 N ATOM 1206 CA THR A 111 -10.498 6.723 -7.119 1.00 0.00 C ATOM 1207 C THR A 111 -9.755 7.879 -6.390 1.00 0.00 C ATOM 1208 O THR A 111 -10.339 8.934 -6.123 1.00 0.00 O ATOM 1209 CB THR A 111 -11.102 7.177 -8.480 1.00 0.00 C ATOM 1210 OG1 THR A 111 -11.844 6.114 -9.068 1.00 0.00 O ATOM 1211 CG2 THR A 111 -10.072 7.650 -9.522 1.00 0.00 C ATOM 0 H THR A 111 -12.498 6.592 -6.435 1.00 0.00 H new ATOM 0 HA THR A 111 -9.794 5.925 -7.355 1.00 0.00 H new ATOM 0 HB THR A 111 -11.729 8.032 -8.228 1.00 0.00 H new ATOM 0 HG1 THR A 111 -12.220 6.411 -9.923 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.588 7.945 -10.436 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.519 8.502 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.379 6.838 -9.743 1.00 0.00 H new ATOM 1219 N ALA A 112 -8.482 7.638 -6.045 1.00 0.00 N ATOM 1220 CA ALA A 112 -7.652 8.600 -5.287 1.00 0.00 C ATOM 1221 C ALA A 112 -6.185 8.465 -5.756 1.00 0.00 C ATOM 1222 O ALA A 112 -5.587 7.385 -5.668 1.00 0.00 O ATOM 1223 CB ALA A 112 -7.781 8.360 -3.771 1.00 0.00 C ATOM 0 H ALA A 112 -7.995 6.774 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.998 9.616 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.162 9.079 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.822 8.482 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.451 7.349 -3.533 1.00 0.00 H new ATOM 1229 N MET A 113 -5.614 9.575 -6.254 1.00 0.00 N ATOM 1230 CA MET A 113 -4.250 9.591 -6.835 1.00 0.00 C ATOM 1231 C MET A 113 -3.190 9.741 -5.712 1.00 0.00 C ATOM 1232 O MET A 113 -3.030 10.816 -5.127 1.00 0.00 O ATOM 1233 CB MET A 113 -4.193 10.703 -7.915 1.00 0.00 C ATOM 1234 CG MET A 113 -2.909 10.752 -8.758 1.00 0.00 C ATOM 1235 SD MET A 113 -3.265 11.654 -10.280 1.00 0.00 S ATOM 1236 CE MET A 113 -1.628 11.699 -11.025 1.00 0.00 C ATOM 0 H MET A 113 -6.077 10.484 -6.268 1.00 0.00 H new ATOM 0 HA MET A 113 -4.015 8.648 -7.328 1.00 0.00 H new ATOM 0 HB2 MET A 113 -5.042 10.574 -8.587 1.00 0.00 H new ATOM 0 HB3 MET A 113 -4.319 11.668 -7.423 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.109 11.243 -8.204 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.566 9.743 -8.986 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.673 12.241 -11.970 1.00 0.00 H new ATOM 0 HE2 MET A 113 -0.935 12.202 -10.351 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.283 10.681 -11.207 1.00 0.00 H new ATOM 1246 N VAL A 114 -2.466 8.635 -5.456 1.00 0.00 N ATOM 1247 CA VAL A 114 -1.283 8.615 -4.556 1.00 0.00 C ATOM 1248 C VAL A 114 -0.081 9.065 -5.431 1.00 0.00 C ATOM 1249 O VAL A 114 0.264 8.394 -6.406 1.00 0.00 O ATOM 1250 CB VAL A 114 -1.083 7.193 -3.918 1.00 0.00 C ATOM 1251 CG1 VAL A 114 0.249 7.027 -3.144 1.00 0.00 C ATOM 1252 CG2 VAL A 114 -2.225 6.803 -2.954 1.00 0.00 C ATOM 0 H VAL A 114 -2.680 7.726 -5.865 1.00 0.00 H new ATOM 0 HA VAL A 114 -1.400 9.286 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.075 6.534 -4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.309 6.018 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.087 7.195 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.290 7.751 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.033 5.812 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.279 7.527 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.171 6.794 -3.495 1.00 0.00 H new ATOM 1262 N THR A 115 0.552 10.187 -5.064 1.00 0.00 N ATOM 1263 CA THR A 115 1.813 10.637 -5.712 1.00 0.00 C ATOM 1264 C THR A 115 2.856 10.935 -4.604 1.00 0.00 C ATOM 1265 O THR A 115 3.141 12.091 -4.271 1.00 0.00 O ATOM 1266 CB THR A 115 1.565 11.757 -6.762 1.00 0.00 C ATOM 1267 OG1 THR A 115 2.806 12.113 -7.359 1.00 0.00 O ATOM 1268 CG2 THR A 115 0.875 13.041 -6.277 1.00 0.00 C ATOM 0 H THR A 115 0.220 10.806 -4.324 1.00 0.00 H new ATOM 0 HA THR A 115 2.246 9.848 -6.327 1.00 0.00 H new ATOM 0 HB THR A 115 0.855 11.311 -7.458 1.00 0.00 H new ATOM 0 HG1 THR A 115 2.661 12.348 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 115 0.766 13.733 -7.112 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.109 12.797 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 115 1.478 13.505 -5.497 1.00 0.00 H new ATOM 1276 N ALA A 116 3.439 9.856 -4.049 1.00 0.00 N ATOM 1277 CA ALA A 116 4.422 9.954 -2.949 1.00 0.00 C ATOM 1278 C ALA A 116 5.805 10.426 -3.448 1.00 0.00 C ATOM 1279 O ALA A 116 6.250 10.084 -4.550 1.00 0.00 O ATOM 1280 CB ALA A 116 4.536 8.586 -2.259 1.00 0.00 C ATOM 0 H ALA A 116 3.246 8.899 -4.346 1.00 0.00 H new ATOM 0 HA ALA A 116 4.071 10.702 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.259 8.648 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.564 8.298 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.866 7.840 -2.982 1.00 0.00 H new ATOM 1286 N ASP A 117 6.483 11.195 -2.580 1.00 0.00 N ATOM 1287 CA ASP A 117 7.859 11.712 -2.815 1.00 0.00 C ATOM 1288 C ASP A 117 8.930 10.623 -3.200 1.00 0.00 C ATOM 1289 O ASP A 117 8.709 9.415 -3.014 1.00 0.00 O ATOM 1290 CB ASP A 117 8.163 12.490 -1.503 1.00 0.00 C ATOM 1291 CG ASP A 117 9.344 13.444 -1.585 1.00 0.00 C ATOM 1292 OD1 ASP A 117 9.156 14.585 -2.055 1.00 0.00 O ATOM 1293 OD2 ASP A 117 10.459 13.053 -1.179 1.00 0.00 O ATOM 0 H ASP A 117 6.094 11.484 -1.682 1.00 0.00 H new ATOM 0 HA ASP A 117 7.916 12.343 -3.702 1.00 0.00 H new ATOM 0 HB2 ASP A 117 7.276 13.056 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.350 11.771 -0.706 1.00 0.00 H new ATOM 1298 N SER A 118 10.097 11.053 -3.728 1.00 0.00 N ATOM 1299 CA SER A 118 11.261 10.148 -3.976 1.00 0.00 C ATOM 1300 C SER A 118 11.912 9.669 -2.639 1.00 0.00 C ATOM 1301 O SER A 118 12.842 10.272 -2.093 1.00 0.00 O ATOM 1302 CB SER A 118 12.260 10.837 -4.932 1.00 0.00 C ATOM 1303 OG SER A 118 12.781 12.052 -4.400 1.00 0.00 O ATOM 0 H SER A 118 10.267 12.023 -3.994 1.00 0.00 H new ATOM 0 HA SER A 118 10.913 9.239 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.084 10.155 -5.144 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.765 11.043 -5.881 1.00 0.00 H new ATOM 0 HG SER A 118 13.009 11.924 -3.455 1.00 0.00 H new ATOM 1309 N LYS A 119 11.273 8.633 -2.073 1.00 0.00 N ATOM 1310 CA LYS A 119 11.189 8.425 -0.599 1.00 0.00 C ATOM 1311 C LYS A 119 10.416 7.102 -0.292 1.00 0.00 C ATOM 1312 O LYS A 119 10.947 6.262 0.443 1.00 0.00 O ATOM 1313 CB LYS A 119 10.553 9.653 0.155 1.00 0.00 C ATOM 1314 CG LYS A 119 11.441 10.367 1.203 1.00 0.00 C ATOM 1315 CD LYS A 119 11.374 9.819 2.645 1.00 0.00 C ATOM 1316 CE LYS A 119 12.191 8.537 2.893 1.00 0.00 C ATOM 1317 NZ LYS A 119 12.073 8.148 4.324 1.00 0.00 N ATOM 0 H LYS A 119 10.797 7.911 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 119 12.207 8.337 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.249 10.388 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.646 9.312 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.476 10.316 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.164 11.421 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.724 10.593 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.331 9.621 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.828 7.732 2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.237 8.703 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.624 7.282 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.439 8.915 4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.074 7.974 4.555 1.00 0.00 H new ATOM 1331 N TYR A 120 9.172 6.947 -0.807 1.00 0.00 N ATOM 1332 CA TYR A 120 8.302 5.771 -0.513 1.00 0.00 C ATOM 1333 C TYR A 120 7.925 4.984 -1.811 1.00 0.00 C ATOM 1334 O TYR A 120 6.745 4.767 -2.108 1.00 0.00 O ATOM 1335 CB TYR A 120 7.051 6.244 0.293 1.00 0.00 C ATOM 1336 CG TYR A 120 7.278 6.998 1.621 1.00 0.00 C ATOM 1337 CD1 TYR A 120 8.090 6.461 2.626 1.00 0.00 C ATOM 1338 CD2 TYR A 120 6.673 8.246 1.823 1.00 0.00 C ATOM 1339 CE1 TYR A 120 8.309 7.164 3.806 1.00 0.00 C ATOM 1340 CE2 TYR A 120 6.882 8.938 3.010 1.00 0.00 C ATOM 1341 CZ TYR A 120 7.705 8.408 3.997 1.00 0.00 C ATOM 1342 OH TYR A 120 7.932 9.108 5.152 1.00 0.00 O ATOM 0 H TYR A 120 8.741 7.626 -1.434 1.00 0.00 H new ATOM 0 HA TYR A 120 8.856 5.062 0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 120 6.460 6.888 -0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.443 5.365 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 120 8.550 5.494 2.485 1.00 0.00 H new ATOM 0 HD2 TYR A 120 6.043 8.671 1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 120 8.945 6.748 4.573 1.00 0.00 H new ATOM 0 HE2 TYR A 120 6.402 9.893 3.166 1.00 0.00 H new ATOM 0 HH TYR A 120 7.438 9.954 5.124 1.00 0.00 H new ATOM 1352 N CYS A 121 8.945 4.504 -2.554 1.00 0.00 N ATOM 1353 CA CYS A 121 8.763 3.610 -3.726 1.00 0.00 C ATOM 1354 C CYS A 121 9.304 2.209 -3.323 1.00 0.00 C ATOM 1355 O CYS A 121 8.604 1.487 -2.605 1.00 0.00 O ATOM 1356 CB CYS A 121 9.387 4.296 -4.964 1.00 0.00 C ATOM 1357 SG CYS A 121 9.178 3.238 -6.429 1.00 0.00 S ATOM 0 H CYS A 121 9.922 4.724 -2.360 1.00 0.00 H new ATOM 0 HA CYS A 121 7.727 3.439 -4.020 1.00 0.00 H new ATOM 0 HB2 CYS A 121 8.913 5.263 -5.132 1.00 0.00 H new ATOM 0 HB3 CYS A 121 10.446 4.486 -4.790 1.00 0.00 H new ATOM 0 HG CYS A 121 9.703 3.823 -7.465 1.00 0.00 H new ATOM 1363 N TYR A 122 10.534 1.839 -3.734 1.00 0.00 N ATOM 1364 CA TYR A 122 11.245 0.639 -3.212 1.00 0.00 C ATOM 1365 C TYR A 122 12.739 1.004 -2.924 1.00 0.00 C ATOM 1366 O TYR A 122 13.658 0.449 -3.539 1.00 0.00 O ATOM 1367 CB TYR A 122 11.106 -0.551 -4.212 1.00 0.00 C ATOM 1368 CG TYR A 122 9.722 -1.184 -4.444 1.00 0.00 C ATOM 1369 CD1 TYR A 122 9.010 -1.750 -3.380 1.00 0.00 C ATOM 1370 CD2 TYR A 122 9.189 -1.253 -5.736 1.00 0.00 C ATOM 1371 CE1 TYR A 122 7.785 -2.368 -3.607 1.00 0.00 C ATOM 1372 CE2 TYR A 122 7.963 -1.874 -5.960 1.00 0.00 C ATOM 1373 CZ TYR A 122 7.265 -2.440 -4.897 1.00 0.00 C ATOM 1374 OH TYR A 122 6.054 -3.041 -5.122 1.00 0.00 O ATOM 0 H TYR A 122 11.066 2.357 -4.434 1.00 0.00 H new ATOM 0 HA TYR A 122 10.793 0.318 -2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.477 -0.211 -5.179 1.00 0.00 H new ATOM 0 HB3 TYR A 122 11.775 -1.342 -3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.413 -1.707 -2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.732 -0.822 -6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 122 7.235 -2.793 -2.780 1.00 0.00 H new ATOM 0 HE2 TYR A 122 7.554 -1.917 -6.959 1.00 0.00 H new ATOM 0 HH TYR A 122 5.885 -3.707 -4.424 1.00 0.00 H new ATOM 1384 N GLY A 123 12.992 1.938 -1.976 1.00 0.00 N ATOM 1385 CA GLY A 123 14.366 2.358 -1.600 1.00 0.00 C ATOM 1386 C GLY A 123 15.243 2.981 -2.732 1.00 0.00 C ATOM 1387 O GLY A 123 14.677 3.468 -3.716 1.00 0.00 O ATOM 0 H GLY A 123 12.259 2.418 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 123 14.290 3.083 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.891 1.489 -1.202 1.00 0.00 H new ATOM 1391 N PRO A 124 16.605 2.954 -2.659 1.00 0.00 N ATOM 1392 CA PRO A 124 17.484 3.408 -3.770 1.00 0.00 C ATOM 1393 C PRO A 124 17.655 2.282 -4.836 1.00 0.00 C ATOM 1394 O PRO A 124 18.369 1.299 -4.614 1.00 0.00 O ATOM 1395 CB PRO A 124 18.774 3.786 -3.016 1.00 0.00 C ATOM 1396 CG PRO A 124 18.815 2.890 -1.774 1.00 0.00 C ATOM 1397 CD PRO A 124 17.346 2.646 -1.417 1.00 0.00 C ATOM 0 HA PRO A 124 17.104 4.242 -4.360 1.00 0.00 H new ATOM 0 HB2 PRO A 124 19.652 3.627 -3.641 1.00 0.00 H new ATOM 0 HB3 PRO A 124 18.768 4.840 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 124 19.333 1.953 -1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 124 19.346 3.374 -0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 124 17.180 1.616 -1.102 1.00 0.00 H new ATOM 0 HD3 PRO A 124 17.026 3.286 -0.595 1.00 0.00 H new ATOM 1405 N GLN A 125 16.928 2.427 -5.963 1.00 0.00 N ATOM 1406 CA GLN A 125 16.747 1.379 -7.006 1.00 0.00 C ATOM 1407 C GLN A 125 15.793 0.254 -6.512 1.00 0.00 C ATOM 1408 O GLN A 125 16.061 -0.408 -5.502 1.00 0.00 O ATOM 1409 CB GLN A 125 18.062 0.870 -7.664 1.00 0.00 C ATOM 1410 CG GLN A 125 17.898 0.003 -8.935 1.00 0.00 C ATOM 1411 CD GLN A 125 17.287 0.724 -10.153 1.00 0.00 C ATOM 1412 OE1 GLN A 125 17.876 1.649 -10.710 1.00 0.00 O ATOM 1413 NE2 GLN A 125 16.102 0.323 -10.591 1.00 0.00 N ATOM 0 H GLN A 125 16.437 3.293 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 125 16.249 1.867 -7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 125 18.676 1.735 -7.916 1.00 0.00 H new ATOM 0 HB3 GLN A 125 18.614 0.292 -6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 125 18.876 -0.386 -9.218 1.00 0.00 H new ATOM 0 HG3 GLN A 125 17.272 -0.855 -8.691 1.00 0.00 H new ATOM 0 HE21 GLN A 125 15.619 -0.445 -10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 125 15.673 0.782 -11.395 1.00 0.00 H new ATOM 1422 N GLY A 126 14.686 0.055 -7.245 1.00 0.00 N ATOM 1423 CA GLY A 126 13.618 -0.873 -6.836 1.00 0.00 C ATOM 1424 C GLY A 126 13.723 -2.281 -7.444 1.00 0.00 C ATOM 1425 O GLY A 126 14.804 -2.875 -7.510 1.00 0.00 O ATOM 0 H GLY A 126 14.506 0.528 -8.131 1.00 0.00 H new ATOM 0 HA2 GLY A 126 13.627 -0.960 -5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 126 12.656 -0.443 -7.114 1.00 0.00 H new ATOM 1429 N ARG A 127 12.555 -2.815 -7.820 1.00 0.00 N ATOM 1430 CA ARG A 127 12.407 -4.229 -8.264 1.00 0.00 C ATOM 1431 C ARG A 127 12.511 -4.365 -9.818 1.00 0.00 C ATOM 1432 O ARG A 127 12.283 -3.417 -10.582 1.00 0.00 O ATOM 1433 CB ARG A 127 11.055 -4.774 -7.713 1.00 0.00 C ATOM 1434 CG ARG A 127 10.925 -4.845 -6.166 1.00 0.00 C ATOM 1435 CD ARG A 127 9.498 -5.154 -5.672 1.00 0.00 C ATOM 1436 NE ARG A 127 9.222 -6.611 -5.563 1.00 0.00 N ATOM 1437 CZ ARG A 127 8.034 -7.135 -5.253 1.00 0.00 C ATOM 1438 NH1 ARG A 127 6.914 -6.462 -5.276 1.00 0.00 N ATOM 1439 NH2 ARG A 127 7.989 -8.386 -4.904 1.00 0.00 N ATOM 0 H ARG A 127 11.680 -2.290 -7.829 1.00 0.00 H new ATOM 0 HA ARG A 127 13.226 -4.827 -7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 127 10.251 -4.146 -8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 127 10.899 -5.774 -8.117 1.00 0.00 H new ATOM 0 HG2 ARG A 127 11.603 -5.611 -5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 127 11.249 -3.895 -5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 127 9.348 -4.688 -4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.778 -4.704 -6.355 1.00 0.00 H new ATOM 0 HE ARG A 127 9.994 -7.255 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 127 6.916 -5.477 -5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 127 6.038 -6.921 -5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.846 -8.938 -4.873 1.00 0.00 H new ATOM 0 HH22 ARG A 127 7.096 -8.816 -4.661 1.00 0.00 H new ATOM 1453 N SER A 128 12.832 -5.594 -10.269 1.00 0.00 N ATOM 1454 CA SER A 128 12.960 -5.923 -11.715 1.00 0.00 C ATOM 1455 C SER A 128 11.602 -5.785 -12.492 1.00 0.00 C ATOM 1456 O SER A 128 10.576 -6.201 -11.939 1.00 0.00 O ATOM 1457 CB SER A 128 13.521 -7.355 -11.880 1.00 0.00 C ATOM 1458 OG SER A 128 14.831 -7.470 -11.334 1.00 0.00 O ATOM 0 H SER A 128 13.010 -6.386 -9.651 1.00 0.00 H new ATOM 0 HA SER A 128 13.650 -5.199 -12.149 1.00 0.00 H new ATOM 0 HB2 SER A 128 12.857 -8.066 -11.388 1.00 0.00 H new ATOM 0 HB3 SER A 128 13.542 -7.619 -12.937 1.00 0.00 H new ATOM 0 HG SER A 128 15.156 -8.387 -11.453 1.00 0.00 H new ATOM 1464 N PRO A 129 11.524 -5.206 -13.728 1.00 0.00 N ATOM 1465 CA PRO A 129 12.697 -4.858 -14.578 1.00 0.00 C ATOM 1466 C PRO A 129 13.470 -3.541 -14.244 1.00 0.00 C ATOM 1467 O PRO A 129 14.702 -3.559 -14.305 1.00 0.00 O ATOM 1468 CB PRO A 129 12.081 -4.868 -15.994 1.00 0.00 C ATOM 1469 CG PRO A 129 10.618 -4.468 -15.801 1.00 0.00 C ATOM 1470 CD PRO A 129 10.244 -5.095 -14.458 1.00 0.00 C ATOM 0 HA PRO A 129 13.511 -5.566 -14.422 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.596 -4.168 -16.652 1.00 0.00 H new ATOM 0 HB3 PRO A 129 12.162 -5.854 -16.451 1.00 0.00 H new ATOM 0 HG2 PRO A 129 10.498 -3.385 -15.784 1.00 0.00 H new ATOM 0 HG3 PRO A 129 9.990 -4.846 -16.608 1.00 0.00 H new ATOM 0 HD2 PRO A 129 9.531 -4.474 -13.916 1.00 0.00 H new ATOM 0 HD3 PRO A 129 9.779 -6.071 -14.592 1.00 0.00 H new ATOM 1478 N TYR A 130 12.784 -2.418 -13.938 1.00 0.00 N ATOM 1479 CA TYR A 130 13.416 -1.108 -13.678 1.00 0.00 C ATOM 1480 C TYR A 130 12.316 -0.190 -13.079 1.00 0.00 C ATOM 1481 O TYR A 130 11.477 0.365 -13.796 1.00 0.00 O ATOM 1482 CB TYR A 130 14.153 -0.465 -14.889 1.00 0.00 C ATOM 1483 CG TYR A 130 13.396 -0.256 -16.220 1.00 0.00 C ATOM 1484 CD1 TYR A 130 13.332 -1.287 -17.164 1.00 0.00 C ATOM 1485 CD2 TYR A 130 12.786 0.970 -16.504 1.00 0.00 C ATOM 1486 CE1 TYR A 130 12.645 -1.103 -18.360 1.00 0.00 C ATOM 1487 CE2 TYR A 130 12.096 1.153 -17.699 1.00 0.00 C ATOM 1488 CZ TYR A 130 12.024 0.115 -18.626 1.00 0.00 C ATOM 1489 OH TYR A 130 11.342 0.298 -19.800 1.00 0.00 O ATOM 0 H TYR A 130 11.767 -2.396 -13.864 1.00 0.00 H new ATOM 0 HA TYR A 130 14.236 -1.254 -12.975 1.00 0.00 H new ATOM 0 HB2 TYR A 130 14.521 0.509 -14.567 1.00 0.00 H new ATOM 0 HB3 TYR A 130 15.026 -1.081 -15.104 1.00 0.00 H new ATOM 0 HD1 TYR A 130 13.818 -2.230 -16.963 1.00 0.00 H new ATOM 0 HD2 TYR A 130 12.851 1.780 -15.792 1.00 0.00 H new ATOM 0 HE1 TYR A 130 12.593 -1.905 -19.082 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.617 2.098 -17.907 1.00 0.00 H new ATOM 0 HH TYR A 130 10.969 1.204 -19.824 1.00 0.00 H new ATOM 1499 N ILE A 131 12.346 -0.037 -11.748 1.00 0.00 N ATOM 1500 CA ILE A 131 11.491 0.945 -11.017 1.00 0.00 C ATOM 1501 C ILE A 131 12.489 2.029 -10.472 1.00 0.00 C ATOM 1502 O ILE A 131 13.194 1.721 -9.504 1.00 0.00 O ATOM 1503 CB ILE A 131 10.597 0.257 -9.923 1.00 0.00 C ATOM 1504 CG1 ILE A 131 9.637 -0.810 -10.535 1.00 0.00 C ATOM 1505 CG2 ILE A 131 9.782 1.308 -9.122 1.00 0.00 C ATOM 1506 CD1 ILE A 131 8.856 -1.669 -9.533 1.00 0.00 C ATOM 0 H ILE A 131 12.956 -0.581 -11.138 1.00 0.00 H new ATOM 0 HA ILE A 131 10.748 1.416 -11.661 1.00 0.00 H new ATOM 0 HB ILE A 131 11.277 -0.256 -9.242 1.00 0.00 H new ATOM 0 HG12 ILE A 131 8.922 -0.299 -11.179 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.222 -1.473 -11.172 1.00 0.00 H new ATOM 0 HG21 ILE A 131 9.173 0.802 -8.373 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.465 1.999 -8.628 1.00 0.00 H new ATOM 0 HG23 ILE A 131 9.135 1.862 -9.802 1.00 0.00 H new ATOM 0 HD11 ILE A 131 8.223 -2.373 -10.073 1.00 0.00 H new ATOM 0 HD12 ILE A 131 9.555 -2.219 -8.903 1.00 0.00 H new ATOM 0 HD13 ILE A 131 8.234 -1.026 -8.910 1.00 0.00 H new ATOM 1518 N PRO A 132 12.595 3.279 -11.022 1.00 0.00 N ATOM 1519 CA PRO A 132 13.620 4.265 -10.584 1.00 0.00 C ATOM 1520 C PRO A 132 13.292 4.999 -9.234 1.00 0.00 C ATOM 1521 O PRO A 132 12.111 5.265 -8.981 1.00 0.00 O ATOM 1522 CB PRO A 132 13.676 5.236 -11.781 1.00 0.00 C ATOM 1523 CG PRO A 132 12.284 5.176 -12.413 1.00 0.00 C ATOM 1524 CD PRO A 132 11.860 3.718 -12.226 1.00 0.00 C ATOM 0 HA PRO A 132 14.571 3.786 -10.351 1.00 0.00 H new ATOM 0 HB2 PRO A 132 13.917 6.248 -11.456 1.00 0.00 H new ATOM 0 HB3 PRO A 132 14.445 4.938 -12.494 1.00 0.00 H new ATOM 0 HG2 PRO A 132 11.592 5.860 -11.922 1.00 0.00 H new ATOM 0 HG3 PRO A 132 12.311 5.453 -13.467 1.00 0.00 H new ATOM 0 HD2 PRO A 132 10.782 3.631 -12.089 1.00 0.00 H new ATOM 0 HD3 PRO A 132 12.120 3.113 -13.094 1.00 0.00 H new ATOM 1532 N PRO A 133 14.280 5.374 -8.366 1.00 0.00 N ATOM 1533 CA PRO A 133 14.019 6.115 -7.102 1.00 0.00 C ATOM 1534 C PRO A 133 13.694 7.634 -7.274 1.00 0.00 C ATOM 1535 O PRO A 133 12.655 8.094 -6.795 1.00 0.00 O ATOM 1536 CB PRO A 133 15.304 5.828 -6.300 1.00 0.00 C ATOM 1537 CG PRO A 133 16.413 5.677 -7.344 1.00 0.00 C ATOM 1538 CD PRO A 133 15.713 5.064 -8.560 1.00 0.00 C ATOM 0 HA PRO A 133 13.107 5.787 -6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 133 15.524 6.641 -5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 133 15.200 4.921 -5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 133 16.862 6.640 -7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 133 17.215 5.034 -6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 133 16.088 5.492 -9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 133 15.882 3.988 -8.613 1.00 0.00 H new ATOM 1546 N HIS A 134 14.582 8.380 -7.961 1.00 0.00 N ATOM 1547 CA HIS A 134 14.484 9.855 -8.142 1.00 0.00 C ATOM 1548 C HIS A 134 13.244 10.282 -8.984 1.00 0.00 C ATOM 1549 O HIS A 134 12.816 9.566 -9.895 1.00 0.00 O ATOM 1550 CB HIS A 134 15.788 10.395 -8.802 1.00 0.00 C ATOM 1551 CG HIS A 134 17.077 10.236 -7.984 1.00 0.00 C ATOM 1552 ND1 HIS A 134 17.432 11.028 -6.906 1.00 0.00 N ATOM 1553 CD2 HIS A 134 18.076 9.274 -8.218 1.00 0.00 C ATOM 1554 CE1 HIS A 134 18.634 10.458 -6.582 1.00 0.00 C ATOM 1555 NE2 HIS A 134 19.115 9.395 -7.305 1.00 0.00 N ATOM 0 H HIS A 134 15.401 7.976 -8.415 1.00 0.00 H new ATOM 0 HA HIS A 134 14.358 10.290 -7.151 1.00 0.00 H new ATOM 0 HB2 HIS A 134 15.924 9.888 -9.757 1.00 0.00 H new ATOM 0 HB3 HIS A 134 15.649 11.454 -9.020 1.00 0.00 H new ATOM 0 HD2 HIS A 134 18.040 8.536 -9.006 1.00 0.00 H new ATOM 0 HE1 HIS A 134 19.207 10.847 -5.753 1.00 0.00 H new ATOM 0 HE2 HIS A 134 19.975 8.857 -7.203 1.00 0.00 H new ATOM 1563 N ALA A 135 12.671 11.451 -8.628 1.00 0.00 N ATOM 1564 CA ALA A 135 11.363 11.948 -9.141 1.00 0.00 C ATOM 1565 C ALA A 135 10.163 11.213 -8.478 1.00 0.00 C ATOM 1566 O ALA A 135 10.104 9.977 -8.467 1.00 0.00 O ATOM 1567 CB ALA A 135 11.233 12.034 -10.680 1.00 0.00 C ATOM 0 H ALA A 135 13.107 12.092 -7.965 1.00 0.00 H new ATOM 0 HA ALA A 135 11.332 12.992 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 135 10.243 12.407 -10.941 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.991 12.712 -11.072 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.373 11.044 -11.113 1.00 0.00 H new ATOM 1573 N ALA A 136 9.205 11.992 -7.938 1.00 0.00 N ATOM 1574 CA ALA A 136 8.018 11.458 -7.221 1.00 0.00 C ATOM 1575 C ALA A 136 7.018 10.769 -8.186 1.00 0.00 C ATOM 1576 O ALA A 136 6.445 11.422 -9.066 1.00 0.00 O ATOM 1577 CB ALA A 136 7.346 12.634 -6.484 1.00 0.00 C ATOM 0 H ALA A 136 9.228 13.011 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 136 8.336 10.693 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 136 6.469 12.273 -5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 136 8.051 13.070 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 136 7.042 13.391 -7.207 1.00 0.00 H new ATOM 1583 N LEU A 137 6.850 9.438 -8.039 1.00 0.00 N ATOM 1584 CA LEU A 137 6.088 8.618 -9.018 1.00 0.00 C ATOM 1585 C LEU A 137 4.556 8.748 -8.792 1.00 0.00 C ATOM 1586 O LEU A 137 4.059 8.551 -7.679 1.00 0.00 O ATOM 1587 CB LEU A 137 6.632 7.161 -9.121 1.00 0.00 C ATOM 1588 CG LEU A 137 6.166 6.045 -8.139 1.00 0.00 C ATOM 1589 CD1 LEU A 137 6.823 4.702 -8.523 1.00 0.00 C ATOM 1590 CD2 LEU A 137 6.441 6.340 -6.653 1.00 0.00 C ATOM 0 H LEU A 137 7.229 8.905 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 137 6.256 9.023 -10.016 1.00 0.00 H new ATOM 0 HB2 LEU A 137 6.408 6.810 -10.128 1.00 0.00 H new ATOM 0 HB3 LEU A 137 7.717 7.222 -9.039 1.00 0.00 H new ATOM 0 HG LEU A 137 5.082 5.999 -8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 137 6.494 3.925 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 137 6.533 4.432 -9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 137 7.907 4.799 -8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 137 6.083 5.509 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 137 7.513 6.467 -6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 137 5.922 7.253 -6.361 1.00 0.00 H new ATOM 1602 N CYS A 138 3.841 9.123 -9.864 1.00 0.00 N ATOM 1603 CA CYS A 138 2.389 9.420 -9.812 1.00 0.00 C ATOM 1604 C CYS A 138 1.575 8.168 -10.220 1.00 0.00 C ATOM 1605 O CYS A 138 1.707 7.680 -11.346 1.00 0.00 O ATOM 1606 CB CYS A 138 2.071 10.615 -10.734 1.00 0.00 C ATOM 1607 SG CYS A 138 2.980 12.109 -10.224 1.00 0.00 S ATOM 0 H CYS A 138 4.247 9.231 -10.794 1.00 0.00 H new ATOM 0 HA CYS A 138 2.108 9.686 -8.793 1.00 0.00 H new ATOM 0 HB2 CYS A 138 2.331 10.362 -11.762 1.00 0.00 H new ATOM 0 HB3 CYS A 138 1.000 10.815 -10.716 1.00 0.00 H new ATOM 0 HG CYS A 138 2.399 13.161 -10.720 1.00 0.00 H new ATOM 1613 N LEU A 139 0.746 7.659 -9.291 1.00 0.00 N ATOM 1614 CA LEU A 139 -0.026 6.403 -9.483 1.00 0.00 C ATOM 1615 C LEU A 139 -1.521 6.650 -9.139 1.00 0.00 C ATOM 1616 O LEU A 139 -1.854 7.041 -8.017 1.00 0.00 O ATOM 1617 CB LEU A 139 0.592 5.175 -8.742 1.00 0.00 C ATOM 1618 CG LEU A 139 0.795 5.213 -7.193 1.00 0.00 C ATOM 1619 CD1 LEU A 139 0.721 3.811 -6.560 1.00 0.00 C ATOM 1620 CD2 LEU A 139 2.139 5.847 -6.776 1.00 0.00 C ATOM 0 H LEU A 139 0.588 8.101 -8.385 1.00 0.00 H new ATOM 0 HA LEU A 139 0.034 6.126 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.037 4.313 -8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.566 4.983 -9.191 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.024 5.832 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.868 3.890 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.256 3.372 -6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.499 3.178 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.221 5.844 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 139 2.961 5.272 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.186 6.873 -7.141 1.00 0.00 H new ATOM 1632 N GLU A 140 -2.419 6.404 -10.112 1.00 0.00 N ATOM 1633 CA GLU A 140 -3.889 6.576 -9.929 1.00 0.00 C ATOM 1634 C GLU A 140 -4.532 5.273 -9.355 1.00 0.00 C ATOM 1635 O GLU A 140 -4.793 4.315 -10.093 1.00 0.00 O ATOM 1636 CB GLU A 140 -4.478 7.043 -11.290 1.00 0.00 C ATOM 1637 CG GLU A 140 -5.984 7.422 -11.280 1.00 0.00 C ATOM 1638 CD GLU A 140 -6.358 8.605 -10.399 1.00 0.00 C ATOM 1639 OE1 GLU A 140 -6.303 9.758 -10.877 1.00 0.00 O ATOM 1640 OE2 GLU A 140 -6.711 8.382 -9.222 1.00 0.00 O ATOM 0 H GLU A 140 -2.157 6.082 -11.044 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.119 7.340 -9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.908 7.906 -11.634 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.327 6.249 -12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -6.292 7.642 -12.302 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.557 6.554 -10.954 1.00 0.00 H new ATOM 1647 N VAL A 141 -4.749 5.253 -8.024 1.00 0.00 N ATOM 1648 CA VAL A 141 -5.134 4.019 -7.273 1.00 0.00 C ATOM 1649 C VAL A 141 -6.690 3.983 -7.147 1.00 0.00 C ATOM 1650 O VAL A 141 -7.298 4.931 -6.641 1.00 0.00 O ATOM 1651 CB VAL A 141 -4.441 3.941 -5.866 1.00 0.00 C ATOM 1652 CG1 VAL A 141 -4.721 2.594 -5.154 1.00 0.00 C ATOM 1653 CG2 VAL A 141 -2.907 4.132 -5.907 1.00 0.00 C ATOM 0 H VAL A 141 -4.666 6.081 -7.434 1.00 0.00 H new ATOM 0 HA VAL A 141 -4.788 3.144 -7.824 1.00 0.00 H new ATOM 0 HB VAL A 141 -4.882 4.771 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -4.222 2.584 -4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -5.795 2.474 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -4.343 1.774 -5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -2.505 4.064 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -2.460 3.356 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.673 5.111 -6.326 1.00 0.00 H new ATOM 1663 N THR A 142 -7.311 2.870 -7.577 1.00 0.00 N ATOM 1664 CA THR A 142 -8.789 2.684 -7.529 1.00 0.00 C ATOM 1665 C THR A 142 -9.069 1.270 -6.938 1.00 0.00 C ATOM 1666 O THR A 142 -8.592 0.263 -7.466 1.00 0.00 O ATOM 1667 CB THR A 142 -9.418 2.907 -8.938 1.00 0.00 C ATOM 1668 OG1 THR A 142 -9.092 4.210 -9.416 1.00 0.00 O ATOM 1669 CG2 THR A 142 -10.953 2.791 -8.972 1.00 0.00 C ATOM 0 H THR A 142 -6.812 2.071 -7.968 1.00 0.00 H new ATOM 0 HA THR A 142 -9.262 3.425 -6.884 1.00 0.00 H new ATOM 0 HB THR A 142 -9.002 2.115 -9.560 1.00 0.00 H new ATOM 0 HG1 THR A 142 -9.489 4.342 -10.302 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.308 2.960 -9.989 1.00 0.00 H new ATOM 0 HG22 THR A 142 -11.250 1.795 -8.645 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.389 3.536 -8.307 1.00 0.00 H new ATOM 1677 N LEU A 143 -9.880 1.204 -5.864 1.00 0.00 N ATOM 1678 CA LEU A 143 -10.181 -0.062 -5.134 1.00 0.00 C ATOM 1679 C LEU A 143 -11.085 -1.005 -5.989 1.00 0.00 C ATOM 1680 O LEU A 143 -12.264 -0.707 -6.208 1.00 0.00 O ATOM 1681 CB LEU A 143 -10.829 0.327 -3.765 1.00 0.00 C ATOM 1682 CG LEU A 143 -10.926 -0.709 -2.603 1.00 0.00 C ATOM 1683 CD1 LEU A 143 -11.792 -1.948 -2.898 1.00 0.00 C ATOM 1684 CD2 LEU A 143 -9.560 -1.136 -2.037 1.00 0.00 C ATOM 0 H LEU A 143 -10.349 2.021 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.269 -0.630 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -10.278 1.186 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -11.843 0.667 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 143 -11.451 -0.143 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -11.795 -2.605 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -12.812 -1.635 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -11.383 -2.482 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -9.709 -1.857 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -8.965 -1.592 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -9.038 -0.262 -1.648 1.00 0.00 H new ATOM 1696 N LYS A 144 -10.519 -2.142 -6.448 1.00 0.00 N ATOM 1697 CA LYS A 144 -11.299 -3.192 -7.169 1.00 0.00 C ATOM 1698 C LYS A 144 -12.155 -4.076 -6.205 1.00 0.00 C ATOM 1699 O LYS A 144 -13.386 -4.052 -6.300 1.00 0.00 O ATOM 1700 CB LYS A 144 -10.411 -4.085 -8.088 1.00 0.00 C ATOM 1701 CG LYS A 144 -9.659 -3.429 -9.267 1.00 0.00 C ATOM 1702 CD LYS A 144 -9.152 -4.526 -10.234 1.00 0.00 C ATOM 1703 CE LYS A 144 -8.180 -4.021 -11.310 1.00 0.00 C ATOM 1704 NZ LYS A 144 -7.824 -5.155 -12.202 1.00 0.00 N ATOM 0 H LYS A 144 -9.530 -2.363 -6.337 1.00 0.00 H new ATOM 0 HA LYS A 144 -11.986 -2.643 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -9.670 -4.574 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.047 -4.870 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -10.319 -2.741 -9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -8.819 -2.842 -8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -8.659 -5.306 -9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -10.010 -4.987 -10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -8.639 -3.217 -11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -7.284 -3.610 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.851 -5.032 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -7.893 -6.048 -11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -8.478 -5.180 -13.010 1.00 0.00 H new ATOM 1718 N THR A 145 -11.498 -4.880 -5.340 1.00 0.00 N ATOM 1719 CA THR A 145 -12.165 -5.946 -4.542 1.00 0.00 C ATOM 1720 C THR A 145 -11.699 -5.848 -3.061 1.00 0.00 C ATOM 1721 O THR A 145 -10.524 -5.597 -2.766 1.00 0.00 O ATOM 1722 CB THR A 145 -11.903 -7.378 -5.113 1.00 0.00 C ATOM 1723 OG1 THR A 145 -10.534 -7.750 -4.978 1.00 0.00 O ATOM 1724 CG2 THR A 145 -12.313 -7.591 -6.584 1.00 0.00 C ATOM 0 H THR A 145 -10.494 -4.813 -5.172 1.00 0.00 H new ATOM 0 HA THR A 145 -13.241 -5.785 -4.602 1.00 0.00 H new ATOM 0 HB THR A 145 -12.550 -8.012 -4.507 1.00 0.00 H new ATOM 0 HG1 THR A 145 -10.402 -8.650 -5.342 1.00 0.00 H new ATOM 0 HG21 THR A 145 -12.089 -8.616 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 145 -13.382 -7.407 -6.694 1.00 0.00 H new ATOM 0 HG23 THR A 145 -11.759 -6.901 -7.220 1.00 0.00 H new ATOM 1732 N ALA A 146 -12.638 -6.118 -2.140 1.00 0.00 N ATOM 1733 CA ALA A 146 -12.324 -6.369 -0.713 1.00 0.00 C ATOM 1734 C ALA A 146 -13.060 -7.670 -0.308 1.00 0.00 C ATOM 1735 O ALA A 146 -14.262 -7.661 -0.022 1.00 0.00 O ATOM 1736 CB ALA A 146 -12.726 -5.148 0.134 1.00 0.00 C ATOM 0 H ALA A 146 -13.634 -6.170 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 146 -11.256 -6.507 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -12.493 -5.339 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -12.175 -4.272 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -13.796 -4.968 0.028 1.00 0.00 H new ATOM 1742 N VAL A 147 -12.320 -8.795 -0.345 1.00 0.00 N ATOM 1743 CA VAL A 147 -12.887 -10.166 -0.185 1.00 0.00 C ATOM 1744 C VAL A 147 -12.076 -10.916 0.907 1.00 0.00 C ATOM 1745 O VAL A 147 -10.844 -10.986 0.849 1.00 0.00 O ATOM 1746 CB VAL A 147 -12.960 -10.970 -1.532 1.00 0.00 C ATOM 1747 CG1 VAL A 147 -14.088 -10.454 -2.452 1.00 0.00 C ATOM 1748 CG2 VAL A 147 -11.640 -11.083 -2.335 1.00 0.00 C ATOM 0 H VAL A 147 -11.310 -8.788 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 147 -13.926 -10.074 0.133 1.00 0.00 H new ATOM 0 HB VAL A 147 -13.180 -11.983 -1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -14.103 -11.038 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -15.047 -10.554 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -13.912 -9.405 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -11.815 -11.659 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -11.289 -10.086 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -10.886 -11.584 -1.727 1.00 0.00 H new ATOM 1758 N ASP A 148 -12.791 -11.498 1.888 1.00 0.00 N ATOM 1759 CA ASP A 148 -12.168 -12.277 2.996 1.00 0.00 C ATOM 1760 C ASP A 148 -12.052 -13.785 2.595 1.00 0.00 C ATOM 1761 O ASP A 148 -13.060 -14.488 2.437 1.00 0.00 O ATOM 1762 CB ASP A 148 -12.992 -12.036 4.288 1.00 0.00 C ATOM 1763 CG ASP A 148 -12.243 -12.370 5.580 1.00 0.00 C ATOM 1764 OD1 ASP A 148 -11.792 -13.524 5.738 1.00 0.00 O ATOM 1765 OD2 ASP A 148 -12.090 -11.471 6.435 1.00 0.00 O ATOM 0 H ASP A 148 -13.808 -11.448 1.943 1.00 0.00 H new ATOM 0 HA ASP A 148 -11.148 -11.944 3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -13.300 -10.991 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -13.901 -12.635 4.243 1.00 0.00 H new ATOM 1770 N GLY A 149 -10.807 -14.245 2.401 1.00 0.00 N ATOM 1771 CA GLY A 149 -10.541 -15.616 1.923 1.00 0.00 C ATOM 1772 C GLY A 149 -9.038 -15.800 1.603 1.00 0.00 C ATOM 1773 O GLY A 149 -8.655 -15.418 0.493 1.00 0.00 O ATOM 0 H GLY A 149 -9.967 -13.691 2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -10.848 -16.337 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -11.135 -15.818 1.032 1.00 0.00 H new